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

Systemtic Name: N-(4-phenylbutan-2-yl)-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-3-phenyl-propyl)pentanamide CAS Name: N-(4-phenylbutan-2-yl)-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylbutan-2-yl)pentanamide Traditional Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(1-methyl-3-phenyl-propyl)valeramide Formula: C30H34N4OS MolecularWeight: 498.68216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H34N4OS/c1-24(20-21-25-13-5-2-6-14-25)31-29(35)19-11-12-22-36-30-33-32-28(23-26-15-7-3-8-16-26)34(30)27-17-9-4-10-18-27/h2-10,13-18,24H,11-12,19-23H2,1H3,(H,31,35)