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

Systemtic Name: 2-[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[[1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl]thio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[1-(4-chlorobenzoyl)-2-oxoazepan-3-yl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[[1-(4-chlorobenzoyl)-2-keto-azepan-3-yl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H22ClN3O2S/c1-13-14(2)18(12-24)20(25-15(13)3)29-19-6-4-5-11-26(22(19)28)21(27)16-7-9-17(23)10-8-16/h7-10,19H,4-6,11H2,1-3H3