1-(4-methylphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-methylphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(p-tolyl)-5-(p-tolylsulfanylmethyl)triazole-4-carboxylic acid CAS Name: 1-(4-methylphenyl)-5-[[(4-methylphenyl)thio]methyl]-4-triazolecarboxylic acid IUPAC Name: 1-(4-methylphenyl)-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxylic acid Traditional Name: 1-(p-tolyl)-5-[(p-tolylthio)methyl]triazole-4-carboxylic acid Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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