2-[2-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]sulfanylethanenitrile

Systemtic Name: 2-[2-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-(4-benzylpiperidine-1-carbonyl)phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-(4-benzylpiperidine-1-carbonyl)phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-(4-benzylpiperidine-1-carbonyl)phenyl]thio]acetonitrile Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C21H22N2OS/c22-12-15-25-20-9-5-4-8-19(20)21(24)23-13-10-18(11-14-23)16-17-6-2-1-3-7-17/h1-9,18H,10-11,13-16H2