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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])N)C#N)C)CSC5=C(C=CC(=C5)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])N)C#N)C)CSC5=C(C=CC(=C5)Cl)Cl

InChI

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