4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C22H17N3O2S MolecularWeight: 387.45428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H17N3O2S/c26-21(27)18-13-11-16(12-14-18)15-28-22-24-23-20(17-7-3-1-4-8-17)25(22)19-9-5-2-6-10-19/h1-14H,15H2,(H,26,27)