3-[[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]methyl]benzonitrile IUPAC Name: 3-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]methyl]benzonitrile Formula: C22H24N2OS MolecularWeight: 364.50376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H24N2OS/c23-15-20-7-4-8-21(14-20)16-26-17-22(25)24-11-9-19(10-12-24)13-18-5-2-1-3-6-18/h1-8,14,19H,9-13,16-17H2