2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C24H21N5O4S MolecularWeight: 475.51964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N5O4S/c1-16(23(30)25-20-15-19(29(31)32)13-14-21(20)33-2)34-24-27-26-22(17-9-5-3-6-10-17)28(24)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,25,30)