2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-6-methyl-nicotinonitrile Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC(C)C(=O)N2CCCCCC2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SC(C)C(=O)N2CCCCCC2)C#N)C(=O)C

InChI

InChI=1S/C18H23N3O2S/c1-12-16(13(2)22)10-15(11-19)17(20-12)24-14(3)18(23)21-8-6-4-5-7-9-21/h10,14H,4-9H2,1-3H3