4-[[5-[(4-methylphenyl)amino]-1H-1,2,4-triazol-3-yl]sulfanyl]benzoic acid

Systemtic Name: 4-[[5-[(4-methylphenyl)amino]-1H-1,2,4-triazol-3-yl]sulfanyl]benzoic acid Openeye Name: 4-[[5-(4-methylanilino)-1H-1,2,4-triazol-3-yl]sulfanyl]benzoic acid CAS Name: 4-[[5-(4-methylanilino)-1H-1,2,4-triazol-3-yl]thio]benzoic acid IUPAC Name: 4-[[5-(4-methylanilino)-1H-1,2,4-triazol-3-yl]sulfanyl]benzoic acid Traditional Name: 4-[[5-(p-toluidino)-1H-1,2,4-triazol-3-yl]thio]benzoic acid Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NN2)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NN2)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H14N4O2S/c1-10-2-6-12(7-3-10)17-15-18-16(20-19-15)23-13-8-4-11(5-9-13)14(21)22/h2-9H,1H3,(H,21,22)(H2,17,18,19,20)