2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanylpyridine-3-carbonitrile

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanylpyridine-3-carbonitrile Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanylpyridine-3-carbonitrile CAS Name: 2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]nicotinonitrile Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=C(C=CC=N3)C#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=C(C=CC=N3)C#N

InChI

InChI=1S/C20H21N3OS/c21-14-18-7-4-10-22-20(18)25-15-19(24)23-11-8-17(9-12-23)13-16-5-2-1-3-6-16/h1-7,10,17H,8-9,11-13,15H2