2-[[5-(2-benzamidophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(2-benzamidophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2-benzamidophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(2-benzamidophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(2-benzamidophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(2-benzamidophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C23H18N4O3S MolecularWeight: 430.47902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C3=NN=C(N3C4=CC=CC=C4)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C3=NN=C(N3C4=CC=CC=C4)SCC(=O)O

InChI

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