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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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5，5'-(Methylenebis(azanediyl))bis(1，3，4-thiadiazole-2(3H)-thione)Cas Number: 79319-85-0 Compound CID: 3035829Formula: C5H6N6S4 Molecular Weight: 278.4IUPAC Name: 5-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methylamino]-3H-1,3,4-thiadiazole-2-thioneSMILES: C(NC1=NNC(=S)S1)NC2=NNC(=S)S2InChIKey: RSNWORHVUOZYLT-UHFFFAOYSA-NInChI: InChI=1S/C5H6N6S4/c12-4-10-8-2(14-4)6-1-7-3-9-11-5(13)15-3/h1H2,(H,6,8)(H,7,9)(H,10,12)(H,11,13) -
5-Iodo-4-methyl-1，3-thiazol-2-amineCas Number: 3034-58-0 Compound CID: 23341795Formula: C4H5IN2S Molecular Weight: 240.07IUPAC Name: 5-iodo-4-methyl-1,3-thiazol-2-amineSMILES: CC1=C(SC(=N1)N)IInChIKey: TUDBFJSDYWCXHY-UHFFFAOYSA-NInChI: InChI=1S/C4H5IN2S/c1-2-3(5)8-4(6)7-2/h1H3,(H2,6,7)
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5-broMo-3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehydeCas Number: 1188037-01-5Formula: C17H13BrN2O2 Molecular Weight: 357.2013SMILES: COC1=CC=C(C=C1)C2=NN(C(=C2C=O)Br)C3=CC=CC=C3InChIKey: OEMWMRNELHHBMB-UHFFFAOYSA-NInChI: InChI=1S/C17H13BrN2O2/c1-22-14-9-7-12(8-10-14)16-15(11-21)17(18)20(19-16)13-5-3-2-4-6-13/h2-11H,1H3
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5-[2-(Trifluoromethoxy)phenyl]-2H-tetrazoleCas Number: 1261268-92-1Formula: C8H5F3N4O Molecular Weight: 230.15SMILES: C1=CC=C(C(=C1)C2=NNN=N2)OC(F)(F)FInChIKey: DDHPQTFUZBZZBF-UHFFFAOYSA-NInChI: InChI=1S/C8H5F3N4O/c9-8(10,11)16-6-4-2-1-3-5(6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
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5-Cyclopropylisoxazole-3-carboxylic acidCas Number: 110256-15-0 Compound CID: 1092113Formula: C7H7NO3 Molecular Weight: 153.14IUPAC Name: 5-cyclopropyl-1,2-oxazole-3-carboxylic acidSMILES: C1CC1C2=CC(=NO2)C(=O)OInChIKey: OWMVXHFZCCPOTD-UHFFFAOYSA-NInChI: InChI=1S/C7H7NO3/c9-7(10)5-3-6(11-8-5)4-1-2-4/h3-4H,1-2H2,(H,9,10)
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4-Bromo-1-methylimidazole-2-carbaldehydeCas Number: 79326-91-3Formula: C5H5BrN2O Molecular Weight: 189.01SMILES: CN1C=C(N=C1C=O)BrInChIKey: AKEVNYPMPMIJPW-UHFFFAOYSA-NInChI: InChI=1S/C5H5BrN2O/c1-8-2-4(6)7-5(8)3-9/h2-3H,1H3
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3-methyl-1-vinyl-1H-imidazolium methyl sulphateCas Number: 26591-72-0Formula: C7H14N2O4S Molecular Weight: 222.2621SMILES: C[N+]1=CN(C=C1)C=C.COS(=O)(=O)[O-]InChIKey: BZVFPIHTRLNAQA-UHFFFAOYSA-MInChI: InChI=1S/C6H9N2.CH4O4S/c1-3-8-5-4-7(2)6-8;1-5-6(2,3)4/h3-6H,1H2,2H3;1H3,(H,2,3,4)/q+1;/p-1
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3-Methyl-1，2，4-thiadiazole-5-carbohydrazideCas Number: 1375066-73-1 Compound CID: 89488459Formula: C4H6N4OSIUPAC Name: 3-methyl-1,2,4-thiadiazole-5-carbohydrazideSMILES: CC1=NSC(=N1)C(=O)NNInChIKey: UJQISHJANPSPTN-UHFFFAOYSA-NInChI: InChI=1S/C4H6N4OS/c1-2-6-4(10-8-2)3(9)7-5/h5H2,1H3,(H,7,9)
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3-Oxo-2，3-dihydro-[1，2，4]triazolo[4，3-a]pyridine-8-carboxylic acidCas Number: 53975-72-7Formula: C7H5N3O3 Molecular Weight: 179.13SMILES: C1=CN2C(=NNC2=O)C(=C1)C(=O)OInChIKey: ZKBNKPSAROKKKH-UHFFFAOYSA-NInChI: InChI=1S/C7H5N3O3/c11-6(12)4-2-1-3-10-5(4)8-9-7(10)13/h1-3H,(H,9,13)(H,11,12)
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3-(Thiazol-4-yl)propanoic acidCas Number: 933735-27-4 Compound CID: 43142377Formula: C6H7NO2S Molecular Weight: 157.19IUPAC Name: 3-(1,3-thiazol-4-yl)propanoic acidSMILES: C1=C(N=CS1)CCC(=O)OInChIKey: FKMVNXSTIGKBCM-UHFFFAOYSA-NInChI: InChI=1S/C6H7NO2S/c8-6(9)2-1-5-3-10-4-7-5/h3-4H,1-2H2,(H,8,9)
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3-(1H-IMidazol-2-yl)propanoic acid hydrochlorideIUPAC Name: 3-(1H-imidazol-2-yl)propanoic acid;hydrochlorideSMILES: C1=CN=C(N1)CCC(=O)O.ClInChIKey: FNFOMFMVOHBKHO-UHFFFAOYSA-NInChI: InChI=1S/C6H8N2O2.ClH/c9-6(10)2-1-5-7-3-4-8-5;/h3-4H,1-2H2,(H,7,8)(H,9,10);1H
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2-(5-Nitro-1H-imidazol-1-yl)ethanolCas Number: 5006-68-8 Compound CID: 3248693Formula: C5H7N3O3IUPAC Name: 2-(5-nitroimidazol-1-yl)ethanolSMILES: C1=C(N(C=N1)CCO)[N+](=O)[O-]InChIKey: DFMZECOLZRIPOT-UHFFFAOYSA-NInChI: InChI=1S/C5H7N3O3/c9-2-1-7-4-6-3-5(7)8(10)11/h3-4,9H,1-2H2
