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

Systemtic Name: N-(4-phenylbutan-2-yl)-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-3-phenyl-propyl)butanamide CAS Name: N-(4-phenylbutan-2-yl)-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylbutan-2-yl)butanamide Traditional Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(1-methyl-3-phenyl-propyl)butyramide Formula: C29H32N4OS MolecularWeight: 484.65558

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H32N4OS/c1-23(19-20-24-12-5-2-6-13-24)30-28(34)18-11-21-35-29-32-31-27(22-25-14-7-3-8-15-25)33(29)26-16-9-4-10-17-26/h2-10,12-17,23H,11,18-22H2,1H3,(H,30,34)