[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: (2-methylsulfanyl-3-pyridyl)-[4-[2-(p-tolyl)ethyl]-1-piperidyl]methanone CAS Name: [4-[2-(4-methylphenyl)ethyl]-1-piperidinyl]-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: [2-(methylthio)-3-pyridyl]-[4-[2-(p-tolyl)ethyl]piperidino]methanone Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C21H26N2OS/c1-16-5-7-17(8-6-16)9-10-18-11-14-23(15-12-18)21(24)19-4-3-13-22-20(19)25-2/h3-8,13,18H,9-12,14-15H2,1-2H3