(4-nitrophenyl) 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (4-nitrophenyl) 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (4-nitrophenyl) 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetic acid (4-nitrophenyl) ester Formula: C22H16N4O4S MolecularWeight: 432.45184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O4S/c27-20(30-19-13-11-18(12-14-19)26(28)29)15-31-22-24-23-21(16-7-3-1-4-8-16)25(22)17-9-5-2-6-10-17/h1-14H,15H2