5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylbutan-2-yl)pentanamide

Systemtic Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylbutan-2-yl)pentanamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-phenylbutan-2-yl)pentanamide IUPAC Name: 5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylbutan-2-yl)pentanamide Traditional Name: N-(1-methyl-3-phenyl-propyl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]valeramide Formula: C29H31N5O3S MolecularWeight: 529.65314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H31N5O3S/c1-22(15-16-23-10-4-2-5-11-23)30-27(35)14-8-9-21-38-29-32-31-28(33(29)25-12-6-3-7-13-25)24-17-19-26(20-18-24)34(36)37/h2-7,10-13,17-20,22H,8-9,14-16,21H2,1H3,(H,30,35)