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

Systemtic Name: 2-azanyl-4-[3-[(4-fluorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-[(4-fluorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[3-[[(4-fluorophenyl)thio]methyl]-2,5-dimethylphenyl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(4-fluorophenyl)sulfanylmethyl]-2,5-dimethylphenyl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[[(4-fluorophenyl)thio]methyl]-2,5-dimethyl-phenyl]-5-keto-7,7-dimethyl-1-(3-nitrophenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C33H31FN4O3S MolecularWeight: 582.687643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N)C)CSC5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N)C)CSC5=CC=C(C=C5)F

InChI

InChI=1S/C33H31FN4O3S/c1-19-12-21(18-42-25-10-8-22(34)9-11-25)20(2)26(13-19)30-27(17-35)32(36)37(23-6-5-7-24(14-23)38(40)41)28-15-33(3,4)16-29(39)31(28)30/h5-14,30H,15-16,18,36H2,1-4H3