2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidyl]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidinyl]-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[4-[2-(4-methoxyphenyl)ethyl]piperidino]ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCC(CC2)CCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCC(CC2)CCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C24H29N3O2S/c1-17-14-18(2)26-24(22(17)15-25)30-16-23(28)27-12-10-20(11-13-27)5-4-19-6-8-21(29-3)9-7-19/h6-9,14,20H,4-5,10-13,16H2,1-3H3