2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-ethyl-5-keto-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC(=O)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC(=O)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C22H21ClN2O2S/c1-4-15-16(11-24)21(25-17-9-22(2,3)10-18(26)20(15)17)28-12-19(27)13-5-7-14(23)8-6-13/h5-8H,4,9-10,12H2,1-3H3