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

Systemtic Name: 1-(4-ethoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-ethoxyphenyl)-5-(p-tolylsulfanylmethyl)triazole-4-carboxylic acid CAS Name: 1-(4-ethoxyphenyl)-5-[[(4-methylphenyl)thio]methyl]-4-triazolecarboxylic acid IUPAC Name: 1-(4-ethoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxylic acid Traditional Name: 1-p-phenetyl-5-[(p-tolylthio)methyl]triazole-4-carboxylic acid Formula: C19H19N3O3S MolecularWeight: 369.43746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)O)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)O)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C19H19N3O3S/c1-3-25-15-8-6-14(7-9-15)22-17(18(19(23)24)20-21-22)12-26-16-10-4-13(2)5-11-16/h4-11H,3,12H2,1-2H3,(H,23,24)