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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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2-(4-Methoxyphenyl)benzo[d]oxazoleCas Number: 838-34-6Formula: C14H11NO2 Molecular Weight: 225.25SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2InChIKey: RAPOAMGKAJWGHU-UHFFFAOYSA-NInChI: InChI=1S/C14H11NO2/c1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14/h2-9H,1H3 -
1，1'-Dimethyl-1H，1'H-2，2'-biimidazoleCas Number: 37570-94-8 Compound CID: 10123778Formula: C8H10N4 Molecular Weight: 162.19IUPAC Name: 1-methyl-2-(1-methylimidazol-2-yl)imidazoleSMILES: CN1C=CN=C1C2=NC=CN2CInChIKey: KMRPQHUALQQSPI-UHFFFAOYSA-NInChI: InChI=1S/C8H10N4/c1-11-5-3-9-7(11)8-10-4-6-12(8)2/h3-6H,1-2H3
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1H-Tetrazole， 5-(ethylsulfonyl)-1-phenyl-Cas Number: 3206-46-0Formula: C9H10N4O2S Molecular Weight: 238.2663SMILES: CCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2InChIKey: VZFCSFHTLJFUKD-UHFFFAOYSA-NInChI: InChI=1S/C9H10N4O2S/c1-2-16(14,15)9-10-11-12-13(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
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1H，1'H-2，2'-methanediyl-bis-imidazoleCas Number: 64269-81-4Formula: C7H8N4 Molecular Weight: 148.16SMILES: C1=CN=C(N1)CC2=NC=CN2InChIKey: DKWVMFVZPTZPJE-UHFFFAOYSA-NInChI: InChI=1S/C7H8N4/c1-2-9-6(8-1)5-7-10-3-4-11-7/h1-4H,5H2,(H,8,9)(H,10,11)
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1，1'-(1，2-Ethanediyl)bis-1H-1，2，4-triazoleCas Number: 116476-98-3 Compound CID: 683665Formula: C6H8N6 Molecular Weight: 164.17IUPAC Name: 1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazoleSMILES: C1=NN(C=N1)CCN2C=NC=N2InChIKey: LUOXFPFERXZJIU-UHFFFAOYSA-NInChI: InChI=1S/C6H8N6/c1(11-5-7-3-9-11)2-12-6-8-4-10-12/h3-6H,1-2H2
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1，2-Bis(1-methyl-1H-imidazol-2-yl)disulfaneCas Number: 61747-29-3 Compound CID: 12297468Formula: C8H10N4S2 Molecular Weight: 226.3IUPAC Name: 1-methyl-2-[(1-methylimidazol-2-yl)disulfanyl]imidazoleSMILES: CN1C=CN=C1SSC2=NC=CN2CInChIKey: VWGKCNYHKYTHBR-UHFFFAOYSA-NInChI: InChI=1S/C8H10N4S2/c1-11-5-3-9-7(11)13-14-8-10-4-6-12(8)2/h3-6H,1-2H3
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1H-Imidazole-2-acetic acid， α-methyl-Cas Number: 1492007-00-7Formula: C6H8N2O2 Molecular Weight: 140.1399SMILES: CC(C1=NC=CN1)C(=O)OInChIKey: AJDNKVINGDHHEY-UHFFFAOYSA-NInChI: InChI=1S/C6H8N2O2/c1-4(6(9)10)5-7-2-3-8-5/h2-4H,1H3,(H,7,8)(H,9,10)
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1H-Pyrazole-5-carboxylic acid， 3-amino-1-methyl-， ethyl esterCas Number: 89088-57-3 Compound CID: 13248994IUPAC Name: ethyl 5-amino-2-methylpyrazole-3-carboxylateSMILES: CCOC(=O)C1=CC(=NN1C)NInChIKey: AVAANYHFUXNOPC-UHFFFAOYSA-NInChI: InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4-6(8)9-10(5)2/h4H,3H2,1-2H3,(H2,8,9)
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1H-Pyrazol-4-amine， 5-methyl-1-phenyl-Cas Number: 103095-52-9 Compound CID: 23088362Formula: C10H11N3 Molecular Weight: 173.21IUPAC Name: 5-methyl-1-phenylpyrazol-4-amineSMILES: CC1=C(C=NN1C2=CC=CC=C2)NInChIKey: WKNBWNUOHCWCAJ-UHFFFAOYSA-NInChI: InChI=1S/C10H11N3/c1-8-10(11)7-12-13(8)9-5-3-2-4-6-9/h2-7H,11H2,1H3
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1H-Pyrazole-1-carboxylic acid， 3-borono-， 1-(1，1-dimethylethyl) esterCas Number: 1162261-97-3Formula: C8H13BN2O4 Molecular Weight: 212.0108SMILES: B(C1=NN(C=C1)C(=O)OC(C)(C)C)(O)OInChIKey: WYFZWYIHBPVOPY-UHFFFAOYSA-NInChI: InChI=1S/C8H13BN2O4/c1-8(2,3)15-7(12)11-5-4-6(10-11)9(13)14/h4-5,13-14H,1-3H3
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1-Methyl-3-tetradecyl-1H-imidazol-3-ium chlorideCas Number: 171058-21-2Formula: C18H35ClN2 Molecular Weight: 314.94IUPAC Name: 1-methyl-3-tetradecylimidazol-1-ium;chlorideSMILES: CCCCCCCCCCCCCCN1C=C[N+](=C1)C.[Cl-]InChIKey: SDXDXENAFAXVMX-UHFFFAOYSA-MInChI: InChI=1S/C18H35N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20;/h16-18H,3-15H2,1-2H3;1H/q+1;/p-1Synonyms: 1-Tetradecyl-3-methylimidazolium chloride | 1-Methyl-3-tetradecylimidazolium chloride | DTXSID1049229 | DTXCID7029085...
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1-hexadecyl-3-methylimidazol-3-ium，tetrafluoroborateCas Number: 244193-64-4 Compound CID: 18506491Formula: 20H39N2·BF4IUPAC Name: 1-hexadecyl-3-methylimidazol-3-ium;tetrafluoroborateSMILES: [B-](F)(F)(F)F.CCCCCCCCCCCCCCCCN1C=C[N+](=C1)CInChIKey: WXCIBNGOVJQXTI-UHFFFAOYSA-NInChI: InChI=1S/C20H39N2.BF4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;2-1(3,4)5/h18-20H,3-17H2,1-2H3;/q+1;-1
