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

Systemtic Name: 2-azanyl-1-(2-chloranyl-4-nitro-phenyl)-4-[2,4-dimethyl-5-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(2-chloro-4-nitro-phenyl)-4-[2,4-dimethyl-5-(o-tolylsulfanylmethyl)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(2-chloro-4-nitrophenyl)-4-[2,4-dimethyl-5-[[(2-methylphenyl)thio]methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(2-chloro-4-nitrophenyl)-4-[2,4-dimethyl-5-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(2-chloro-4-nitro-phenyl)-4-[2,4-dimethyl-5-[(o-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=CC=C1SCC2=C(C=C(C(=C2)C3C(=C(N(C4=C3C(=O)CCC4)C5=C(C=C(C=C5)[N+](=O)[O-])Cl)N)C#N)C)C

Isomeric SMILES

CC1=CC=CC=C1SCC2=C(C=C(C(=C2)C3C(=C(N(C4=C3C(=O)CCC4)C5=C(C=C(C=C5)[N+](=O)[O-])Cl)N)C#N)C)C

InChI

InChI=1S/C32H29ClN4O3S/c1-18-7-4-5-10-29(18)41-17-21-14-23(20(3)13-19(21)2)30-24(16-34)32(35)36(27-8-6-9-28(38)31(27)30)26-12-11-22(37(39)40)15-25(26)33/h4-5,7,10-15,30H,6,8-9,17,35H2,1-3H3