1-(3,4-dimethylphenyl)-5-(phenylsulfanylmethyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(3,4-dimethylphenyl)-5-(phenylsulfanylmethyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)-5-(phenylsulfanylmethyl)triazole-4-carboxylic acid CAS Name: 1-(3,4-dimethylphenyl)-5-[(phenylthio)methyl]-4-triazolecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)-5-(phenylsulfanylmethyl)triazole-4-carboxylic acid Traditional Name: 1-(3,4-dimethylphenyl)-5-[(phenylthio)methyl]triazole-4-carboxylic acid Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)O)CSC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)O)CSC3=CC=CC=C3)C

InChI

InChI=1S/C18H17N3O2S/c1-12-8-9-14(10-13(12)2)21-16(17(18(22)23)19-20-21)11-24-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H,22,23)