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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C16H21N3OS MolecularWeight: 303.42244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCCCCC2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCCCCC2)C

InChI

InChI=1S/C16H21N3OS/c1-12-9-13(2)18-16(14(12)10-17)21-11-15(20)19-7-5-3-4-6-8-19/h9H,3-8,11H2,1-2H3