N-(cyanomethyl)-4-methyl-2-[3-(3-methylsulfanylphenyl)phenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-(3-methylsulfanylphenyl)phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-(3-methylsulfanylphenyl)phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-[3-(methylthio)phenyl]phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-(3-methylsulfanylphenyl)phenyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-[3-(methylthio)phenyl]phenyl]valeramide Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2OS/c1-15(2)12-20(21(24)23-11-10-22)18-8-4-6-16(13-18)17-7-5-9-19(14-17)25-3/h4-9,13-15,20H,11-12H2,1-3H3,(H,23,24)