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

Systemtic Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)pentanamide Openeye Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)pentanamide CAS Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-(1-phenylethyl)pentanamide IUPAC Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)pentanamide Traditional Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-(1-phenylethyl)valeramide Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4OS/c1-21(22-13-5-2-6-14-22)28-25(32)19-11-12-20-33-27-30-29-26(23-15-7-3-8-16-23)31(27)24-17-9-4-10-18-24/h2-10,13-18,21H,11-12,19-20H2,1H3,(H,28,32)