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

Systemtic Name: 2-azanyl-1-(2-chloranyl-4-nitro-phenyl)-4-[2,5-dimethyl-3-[(4-methylphenyl)sulfanylmethyl]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(2-chloro-4-nitro-phenyl)-4-[2,5-dimethyl-3-(p-tolylsulfanylmethyl)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(2-chloro-4-nitrophenyl)-4-[2,5-dimethyl-3-[[(4-methylphenyl)thio]methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(2-chloro-4-nitrophenyl)-4-[2,5-dimethyl-3-[(4-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(2-chloro-4-nitro-phenyl)-4-[2,5-dimethyl-3-[(p-tolylthio)methyl]phenyl]-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C32H29ClN4O3S MolecularWeight: 585.11566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(C(=CC(=C2)C)C3C(=C(N(C4=C3C(=O)CCC4)C5=C(C=C(C=C5)[N+](=O)[O-])Cl)N)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(C(=CC(=C2)C)C3C(=C(N(C4=C3C(=O)CCC4)C5=C(C=C(C=C5)[N+](=O)[O-])Cl)N)C#N)C

InChI

InChI=1S/C32H29ClN4O3S/c1-18-7-10-23(11-8-18)41-17-21-13-19(2)14-24(20(21)3)30-25(16-34)32(35)36(28-5-4-6-29(38)31(28)30)27-12-9-22(37(39)40)15-26(27)33/h7-15,30H,4-6,17,35H2,1-3H3