(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 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 (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 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 (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C24H20N4O3S MolecularWeight: 444.5056

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)OC(C4=CC=CC=C4)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C24H20N4O3S/c25-22(30)21(17-10-4-1-5-11-17)31-20(29)16-32-24-27-26-23(18-12-6-2-7-13-18)28(24)19-14-8-3-9-15-19/h1-15,21H,16H2,(H2,25,30)