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

Systemtic Name: 2-azanyl-4-[2,4-dimethyl-5-[(2-methylphenyl)sulfanylmethyl]phenyl]-1-(4-fluoranyl-2-nitro-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[2,4-dimethyl-5-(o-tolylsulfanylmethyl)phenyl]-1-(4-fluoro-2-nitro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[2,4-dimethyl-5-[[(2-methylphenyl)thio]methyl]phenyl]-1-(4-fluoro-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[2,4-dimethyl-5-[(2-methylphenyl)sulfanylmethyl]phenyl]-1-(4-fluoro-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[2,4-dimethyl-5-[(o-tolylthio)methyl]phenyl]-1-(4-fluoro-2-nitro-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C34H33FN4O3S MolecularWeight: 596.714223

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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)CC(C4)(C)C)C5=C(C=C(C=C5)F)[N+](=O)[O-])N)C#N)C)C

Isomeric SMILES

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

InChI

InChI=1S/C34H33FN4O3S/c1-19-8-6-7-9-30(19)43-18-22-13-24(21(3)12-20(22)2)31-25(17-36)33(37)38(26-11-10-23(35)14-27(26)39(41)42)28-15-34(4,5)16-29(40)32(28)31/h6-14,31H,15-16,18,37H2,1-5H3