2-azanyl-1-(4-chloranyl-3-nitro-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-(4-chloranyl-3-nitro-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-(4-chloro-3-nitro-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-(4-chloro-3-nitrophenyl)-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-(4-chloro-3-nitrophenyl)-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-(4-chloro-3-nitro-phenyl)-4-[2,5-dimethyl-3-[(o-tolylthio)methyl]phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C34H33ClN4O3S MolecularWeight: 613.16882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC2=C(C(=CC(=C2)C)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])N)C#N)C

Isomeric SMILES

CC1=CC=CC=C1SCC2=C(C(=CC(=C2)C)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])N)C#N)C

InChI

InChI=1S/C34H33ClN4O3S/c1-19-12-22(18-43-30-9-7-6-8-20(30)2)21(3)24(13-19)31-25(17-36)33(37)38(23-10-11-26(35)27(14-23)39(41)42)28-15-34(4,5)16-29(40)32(28)31/h6-14,31H,15-16,18,37H2,1-5H3