2-[2-(3-methylpiperidin-1-yl)carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-(3-methylpiperidin-1-yl)carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-(3-methylpiperidine-1-carbonyl)phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[(3-methyl-1-piperidinyl)-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-(3-methylpiperidine-1-carbonyl)phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-(3-methylpiperidine-1-carbonyl)phenyl]thio]benzonitrile Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C20H20N2OS/c1-15-7-6-12-22(14-15)20(23)17-9-3-5-11-19(17)24-18-10-4-2-8-16(18)13-21/h2-5,8-11,15H,6-7,12,14H2,1H3