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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3OS/c1-12-13(2)15(10-18)17(19-14(12)3)22-11-16(21)20-8-6-4-5-7-9-20/h4-9,11H2,1-3H3