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

Systemtic Name: (4-cyano-2-methoxy-phenyl) 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (4-cyano-2-methoxy-phenyl) 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-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 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-cyano-2-methoxy-phenyl) ester Formula: C24H18N4O3S MolecularWeight: 442.48972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H18N4O3S/c1-30-21-14-17(15-25)12-13-20(21)31-22(29)16-32-24-27-26-23(18-8-4-2-5-9-18)28(24)19-10-6-3-7-11-19/h2-14H,16H2,1H3