4-methyl-6-oxidanylidene-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1H-pyridine-3-carbonitrile

Systemtic Name: 4-methyl-6-oxidanylidene-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1H-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4-methyl-6-oxo-1H-pyridine-3-carbonitrile CAS Name: 4-methyl-6-oxo-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-1H-pyridine-3-carbonitrile IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-6-oxo-1H-pyridine-3-carbonitrile Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-6-keto-4-methyl-1H-pyridine-3-carbonitrile Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C#N)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-15-11-19(25)23-21(18(15)13-22)27-14-20(26)24-9-7-17(8-10-24)12-16-5-3-2-4-6-16/h2-6,11,17H,7-10,12,14H2,1H3,(H,23,25)