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

Systemtic Name: 2-azanyl-4-[5-[[2,5-bis(chloranyl)phenyl]sulfanylmethyl]-2,4-dimethyl-phenyl]-1-(2-chloranyl-4-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(2-chloro-4-nitro-phenyl)-4-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(2-chloro-4-nitrophenyl)-4-[5-[[(2,5-dichlorophenyl)thio]methyl]-2,4-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(2-chloro-4-nitrophenyl)-4-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(2-chloro-4-nitro-phenyl)-4-[5-[[(2,5-dichlorophenyl)thio]methyl]-2,4-dimethyl-phenyl]-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C31H25Cl3N4O3S MolecularWeight: 639.9792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)N)C#N)CSC5=C(C=CC(=C5)Cl)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)N)C#N)CSC5=C(C=CC(=C5)Cl)Cl)C

InChI

InChI=1S/C31H25Cl3N4O3S/c1-16-10-17(2)21(11-18(16)15-42-28-12-19(32)6-8-23(28)33)29-22(14-35)31(36)37(26-4-3-5-27(39)30(26)29)25-9-7-20(38(40)41)13-24(25)34/h6-13,29H,3-5,15,36H2,1-2H3