4-(4-chlorophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxidanylidene-1,4,4a,6,8,8a-hexahydroquinoline-3-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxidanylidene-1,4,4a,6,8,8a-hexahydroquinoline-3-carbonitrile Openeye Name: 4-(4-chlorophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-1,4,4a,6,8,8a-hexahydroquinoline-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-7,7-dimethyl-2-(methylthio)-5-oxo-1,4,4a,6,8,8a-hexahydroquinoline-3-carbonitrile IUPAC Name: 4-(4-chlorophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-1,4,4a,6,8,8a-hexahydroquinoline-3-carbonitrile Traditional Name: 4-(4-chlorophenyl)-5-keto-7,7-dimethyl-2-(methylthio)-1,4,4a,6,8,8a-hexahydroquinoline-3-carbonitrile Formula: C19H21ClN2OS MolecularWeight: 360.90084

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C(C(C(=C(N2)SC)C#N)C3=CC=C(C=C3)Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC2C(C(C(=C(N2)SC)C#N)C3=CC=C(C=C3)Cl)C(=O)C1)C

InChI

InChI=1S/C19H21ClN2OS/c1-19(2)8-14-17(15(23)9-19)16(11-4-6-12(20)7-5-11)13(10-21)18(22-14)24-3/h4-7,14,16-17,22H,8-9H2,1-3H3