2-azanyl-1-(3-chloranyl-2-methyl-phenyl)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(3-chloranyl-2-methyl-phenyl)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-chloro-2-methyl-phenyl)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-[4-(methylthio)phenyl]-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-chloro-2-methyl-phenyl)-5-keto-7,7-dimethyl-4-[4-(methylthio)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C26H26ClN3OS MolecularWeight: 464.02214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)SC)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)SC)C(=O)CC(C3)(C)C

InChI

InChI=1S/C26H26ClN3OS/c1-15-19(27)6-5-7-20(15)30-21-12-26(2,3)13-22(31)24(21)23(18(14-28)25(30)29)16-8-10-17(32-4)11-9-16/h5-11,23H,12-13,29H2,1-4H3