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

Systemtic Name: 2-azanyl-1-(2-chloranyl-5-nitro-phenyl)-4-[2,5-dimethyl-3-[(phenylmethylsulfanyl)methyl]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-(benzylsulfanylmethyl)-2,5-dimethyl-phenyl]-1-(2-chloro-5-nitro-phenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(2-chloro-5-nitrophenyl)-4-[2,5-dimethyl-3-[(phenylmethylthio)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-(benzylsulfanylmethyl)-2,5-dimethylphenyl]-1-(2-chloro-5-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(benzylthio)methyl]-2,5-dimethyl-phenyl]-1-(2-chloro-5-nitro-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)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)N)C#N)C)CSCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)N)C#N)C)CSCC5=CC=CC=C5

InChI

InChI=1S/C32H29ClN4O3S/c1-19-13-22(18-41-17-21-7-4-3-5-8-21)20(2)24(14-19)30-25(16-34)32(35)36(27-9-6-10-29(38)31(27)30)28-15-23(37(39)40)11-12-26(28)33/h3-5,7-8,11-15,30H,6,9-10,17-18,35H2,1-2H3