4,5,6-trimethyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-(2-oxoazepan-3-yl)sulfanyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[(2-oxo-3-azepanyl)thio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-(2-oxoazepan-3-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 2-[(2-ketoazepan-3-yl)thio]-4,5,6-trimethyl-nicotinonitrile Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SC2CCCCNC2=O)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SC2CCCCNC2=O)C

InChI

InChI=1S/C15H19N3OS/c1-9-10(2)12(8-16)15(18-11(9)3)20-13-6-4-5-7-17-14(13)19/h13H,4-7H2,1-3H3,(H,17,19)