N-(cyanomethyl)-2-[4-(4-ethanoylphenyl)phenyl]sulfanyl-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[4-(4-ethanoylphenyl)phenyl]sulfanyl-4-methyl-pentanamide Openeye Name: 2-[4-(4-acetylphenyl)phenyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[[4-(4-acetylphenyl)phenyl]thio]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[4-(4-acetylphenyl)phenyl]sulfanyl-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[[4-(4-acetylphenyl)phenyl]thio]-N-(cyanomethyl)-4-methyl-valeramide Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C22H24N2O2S/c1-15(2)14-21(22(26)24-13-12-23)27-20-10-8-19(9-11-20)18-6-4-17(5-7-18)16(3)25/h4-11,15,21H,13-14H2,1-3H3,(H,24,26)