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

Systemtic Name: N-(1-phenylethyl)-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-phenylethyl)pentanamide CAS Name: N-(1-phenylethyl)-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-(1-phenylethyl)pentanamide Traditional Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(1-phenylethyl)valeramide Formula: C28H30N4OS MolecularWeight: 470.629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4OS/c1-22(24-15-7-3-8-16-24)29-27(33)19-11-12-20-34-28-31-30-26(21-23-13-5-2-6-14-23)32(28)25-17-9-4-10-18-25/h2-10,13-18,22H,11-12,19-21H2,1H3,(H,29,33)