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

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3OS/c1-12-13(2)16(11-19)17(20-14(12)3)23-15(4)18(22)21-9-7-5-6-8-10-21/h15H,5-10H2,1-4H3