4-(methoxymethyl)-6-methyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4-(methoxymethyl)-6-methyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 4-(methoxymethyl)-6-methyl-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4-(methoxymethyl)-6-methyl-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4-(methoxymethyl)-6-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-4-(methoxymethyl)-6-methyl-nicotinonitrile Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)N2CCCCC2

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)N2CCCCC2

InChI

InChI=1S/C16H21N3O2S/c1-12-8-13(10-21-2)14(9-17)16(18-12)22-11-15(20)19-6-4-3-5-7-19/h8H,3-7,10-11H2,1-2H3