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

Systemtic Name: 2-azanyl-1-(5-chloranyl-2-methyl-phenyl)-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(5-chloro-2-methyl-phenyl)-4-[2,5-dimethyl-3-(o-tolylsulfanylmethyl)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(5-chloro-2-methylphenyl)-4-[2,5-dimethyl-3-[[(2-methylphenyl)thio]methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(5-chloro-2-methylphenyl)-4-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(5-chloro-2-methyl-phenyl)-4-[2,5-dimethyl-3-[(o-tolylthio)methyl]phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C35H36ClN3OS MolecularWeight: 582.19784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C3=C(C(C(=C2N)C#N)C4=CC(=CC(=C4C)CSC5=CC=CC=C5C)C)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C3=C(C(C(=C2N)C#N)C4=CC(=CC(=C4C)CSC5=CC=CC=C5C)C)C(=O)CC(C3)(C)C

InChI

InChI=1S/C35H36ClN3OS/c1-20-13-24(19-41-31-10-8-7-9-22(31)3)23(4)26(14-20)32-27(18-37)34(38)39(28-15-25(36)12-11-21(28)2)29-16-35(5,6)17-30(40)33(29)32/h7-15,32H,16-17,19,38H2,1-6H3