2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC(=C(C(=C2C#N)C)C)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC(=C(C(=C2C#N)C)C)C)C

InChI

InChI=1S/C18H25N3OS/c1-11-6-12(2)9-21(8-11)17(22)10-23-18-16(7-19)14(4)13(3)15(5)20-18/h11-12H,6,8-10H2,1-5H3