(3S)-6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridine-3,5-dicarbonitrile

Systemtic Name: (3S)-6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridine-3,5-dicarbonitrile Openeye Name: (3S)-6-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile CAS Name: (3S)-6-[[2-(1-azepanyl)-2-oxoethyl]thio]-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile IUPAC Name: (3S)-6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile Traditional Name: (3S)-6-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-2-keto-4,4-dimethyl-1,3-dihydropyridine-3,5-dicarbonitrile Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1([C@H](C(=O)NC(=C1C#N)SCC(=O)N2CCCCCC2)C#N)C

InChI

InChI=1S/C17H22N4O2S/c1-17(2)12(9-18)15(23)20-16(13(17)10-19)24-11-14(22)21-7-5-3-4-6-8-21/h12H,3-8,11H2,1-2H3,(H,20,23)/t12-/m0/s1