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

Systemtic Name: 2-azanyl-4-[5-[[2,5-bis(chloranyl)phenyl]sulfanylmethyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-1-(2-methyl-5-nitro-phenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-1-(2-methyl-5-nitro-phenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[5-[[(2,5-dichlorophenyl)thio]methyl]-2,4-dimethylphenyl]-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-[[(2,5-dichlorophenyl)thio]methyl]-2,4-dimethyl-phenyl]-5-keto-7,7-dimethyl-1-(2-methyl-5-nitro-phenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C34H32Cl2N4O3S MolecularWeight: 647.61388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4C)C)CSC5=C(C=CC(=C5)Cl)Cl)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4C)C)CSC5=C(C=CC(=C5)Cl)Cl)C(=O)CC(C3)(C)C

InChI

InChI=1S/C34H32Cl2N4O3S/c1-18-6-8-23(40(42)43)13-27(18)39-28-14-34(4,5)15-29(41)32(28)31(25(16-37)33(39)38)24-11-21(19(2)10-20(24)3)17-44-30-12-22(35)7-9-26(30)36/h6-13,31H,14-15,17,38H2,1-5H3