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

Systemtic Name: 2-azanyl-4-[2,5-dimethyl-3-[(4-methylphenyl)sulfanylmethyl]phenyl]-1-(4-fluoranyl-2-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[2,5-dimethyl-3-(p-tolylsulfanylmethyl)phenyl]-1-(4-fluoro-2-nitro-phenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[2,5-dimethyl-3-[[(4-methylphenyl)thio]methyl]phenyl]-1-(4-fluoro-2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[2,5-dimethyl-3-[(4-methylphenyl)sulfanylmethyl]phenyl]-1-(4-fluoro-2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[2,5-dimethyl-3-[(p-tolylthio)methyl]phenyl]-1-(4-fluoro-2-nitro-phenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C32H29FN4O3S MolecularWeight: 568.661063

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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)F)[N+](=O)[O-])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)F)[N+](=O)[O-])N)C#N)C

InChI

InChI=1S/C32H29FN4O3S/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(27-5-4-6-29(38)31(27)30)26-12-9-22(33)15-28(26)37(39)40/h7-15,30H,4-6,17,35H2,1-3H3