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Azoles
Description:
Organic compounds comprising a five-member nitrogen heterocyclic ring containing at least one other non-carbon atom of either nitrogen, sulfur, or oxygen. The parent compounds are aromatic and have two double bonds; there are successively reduced analogs (azolines and azolidines) with fewer.
Ancestors:
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4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole(AHMT)Cas Number: 1750-12-5 EC Number: 217-135-8Formula: C2H6N6S Molecular Weight: 146.17IUPAC Name: 4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thioneSMILES: C1(=S)NN=C(N1N)NNInChIKey: RDIMQHBOTMWMJA-UHFFFAOYSA-NInChI: InChI=1S/C2H6N6S/c3-5-1-6-7-2(9)8(1)4/h3-4H2,(H,5,6)(H,7,9)Synonyms: AMHT | 4-Amino-5-hydrazino-1,2,4-triazole-3-thiol | 4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole -
phenylbutazone CalciumIUPAC Name: calcium;4-butyl-5-oxo-1,2-diphenylpyrazol-3-olateSMILES: CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-].CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-].[Ca+2]InChIKey: XMVFRSAMWBGRNR-UHFFFAOYSA-LInChI: InChI=1S/2C19H20N2O2.Ca/c2*1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;/h2*4-13,22H,2-3,14H2,1H3;/q;;+2/p-2
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Thiazolium，3-(2-hydroxyethyl)-， bromide (1:1)Cas Number: 103768-99-6Formula: C5H8BrNOS Molecular Weight: 210.0921SMILES: C1=CSC=[N+]1CCO.[Br-]InChIKey: RZANVUAQQTZJHP-UHFFFAOYSA-MInChI: InChI=1S/C5H8NOS.BrH/c7-3-1-6-2-4-8-5-6;/h2,4-5,7H,1,3H2;1H/q+1;/p-1
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PyraclostrobinCas Number: 175013-18-0 Compound CID: 6422843Formula: C19H18ClN3O4 Molecular Weight: 387.82IUPAC Name: methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamateSMILES: COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OCInChIKey: HZRSNVGNWUDEFX-UHFFFAOYSA-NInChI: InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
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Potassium 1H-pyrazole-4-trifluoroborateCas Number: 1111732-81-0 Compound CID: 25212875Formula: C3H3BF3KN2 Molecular Weight: 173.98IUPAC Name: potassium;trifluoro(1H-pyrazol-4-yl)boranuideSMILES: [B-](C1=CNN=C1)(F)(F)F.[K+]InChIKey: IKWKPYJRTNMJDL-UHFFFAOYSA-NInChI: InChI=1S/C3H3BF3N2.K/c5-4(6,7)3-1-8-9-2-3;/h1-2H,(H,8,9);/q-1;+1
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Methyl 5-tert-butyl-1，3，4-oxadiazole-2-carboxylateCas Number: 1565976-13-7 Compound CID: 112619013Formula: C8H12N2O3 Molecular Weight: 184.19IUPAC Name: methyl 5-tert-butyl-1,3,4-oxadiazole-2-carboxylateSMILES: CC(C)(C)C1=NN=C(O1)C(=O)OCInChIKey: DTQGRCCICURYSO-UHFFFAOYSA-NInChI: InChI=1S/C8H12N2O3/c1-8(2,3)7-10-9-5(13-7)6(11)12-4/h1-4H3
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N-(1，5-Dimethyl-3-oxo-2-phenyl-2，3-dihydro-1H-pyrazol-4-yl)formamideFormula: C12H13N3O2 Molecular Weight: 231.25IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)formamideSMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=OInChIKey: WSJBSKRPKADYRQ-UHFFFAOYSA-NInChI: InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)
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Ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylateCas Number: 27241-29-8Formula: C12H12N2O3 Molecular Weight: 232.24SMILES: CCOC(=O)C1=CC(=O)N(N1)C2=CC=CC=C2InChIKey: DCCIFKZACWAKSD-UHFFFAOYSA-NInChI: InChI=1S/C12H12N2O3/c1-2-17-12(16)10-8-11(15)14(13-10)9-6-4-3-5-7-9/h3-8,13H,2H2,1H3
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Carfentrazone-ethylCas Number: 128639-02-1 Compound CID: 86222Formula: C15H14Cl2F3N3O3 Molecular Weight: 412.19IUPAC Name: ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoateSMILES: CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)ClInChIKey: MLKCGVHIFJBRCD-UHFFFAOYSA-NInChI: InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3
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9-bromo-2，3-diiodo-5，6-dihydrobenzo[f]imidazo[1，2-d][1，4]oxazepineCas Number: 1282516-68-0Formula: C11H7BrI2N2O Molecular Weight: 516.90SMILES: C1COC2=C(C=CC(=C2)Br)C3=NC(=C(N31)I)IInChIKey: BOLGNRXJXPPVJO-UHFFFAOYSA-NInChI: InChI=1S/C11H7BrI2N2O/c12-6-1-2-7-8(5-6)17-4-3-16-10(14)9(13)15-11(7)16/h1-2,5H,3-4H2
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5-(5-Methyl-2-furyl)isoxazole-3-carboxylic AcidCas Number: 951626-47-4Formula: C9H7NO4 Molecular Weight: 193.16SMILES: CC1=CC=C(O1)C2=CC(=NO2)C(=O)OInChIKey: BUGNLEZOYXVUNH-UHFFFAOYSA-NInChI: InChI=1S/C9H7NO4/c1-5-2-3-7(13-5)8-4-6(9(11)12)10-14-8/h2-4H,1H3,(H,11,12)
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4-bromo-2-cyclopropyl-1，3-thiazoleCas Number: 1086381-69-2 Compound CID: 45141884Formula: C6H6NSBr Molecular Weight: 204.08IUPAC Name: 4-bromo-2-cyclopropyl-1,3-thiazoleSMILES: C1CC1C2=NC(=CS2)BrInChIKey: UJFDCZNRQSUMIF-UHFFFAOYSA-NInChI: InChI=1S/C6H6BrNS/c7-5-3-9-6(8-5)4-1-2-4/h3-4H,1-2H2
