2-[2-(3,5-dimethylpiperidin-1-yl)carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thio]benzonitrile Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C

InChI

InChI=1S/C21H22N2OS/c1-15-11-16(2)14-23(13-15)21(24)18-8-4-6-10-20(18)25-19-9-5-3-7-17(19)12-22/h3-10,15-16H,11,13-14H2,1-2H3