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

Systemtic Name: 4-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H18N4O3S/c28-20(24-18-13-11-17(12-14-18)22(29)30)15-31-23-26-25-21(16-7-3-1-4-8-16)27(23)19-9-5-2-6-10-19/h1-14H,15H2,(H,24,28)(H,29,30)