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

Systemtic Name: 1-(3,4-dimethylphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)-5-(p-tolylsulfanylmethyl)triazole-4-carboxylic acid CAS Name: 1-(3,4-dimethylphenyl)-5-[[(4-methylphenyl)thio]methyl]-4-triazolecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxylic acid Traditional Name: 1-(3,4-dimethylphenyl)-5-[(p-tolylthio)methyl]triazole-4-carboxylic acid Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(N=NN2C3=CC(=C(C=C3)C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(N=NN2C3=CC(=C(C=C3)C)C)C(=O)O

InChI

InChI=1S/C19H19N3O2S/c1-12-4-8-16(9-5-12)25-11-17-18(19(23)24)20-21-22(17)15-7-6-13(2)14(3)10-15/h4-10H,11H2,1-3H3,(H,23,24)