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

Systemtic Name: 2-azanyl-1-(4-fluoranyl-2-nitro-phenyl)-4-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-fluoro-2-nitro-phenyl)-4-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(4-fluoro-2-nitrophenyl)-4-[5-[[(4-fluorophenyl)thio]methyl]-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-fluoro-2-nitrophenyl)-4-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-fluoro-2-nitro-phenyl)-4-[5-[[(4-fluorophenyl)thio]methyl]-2,4-dimethyl-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C33H30F2N4O3S MolecularWeight: 600.678106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)F)[N+](=O)[O-])N)C#N)CSC5=CC=C(C=C5)F)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)F)[N+](=O)[O-])N)C#N)CSC5=CC=C(C=C5)F)C

InChI

InChI=1S/C33H30F2N4O3S/c1-18-11-19(2)24(12-20(18)17-43-23-8-5-21(34)6-9-23)30-25(16-36)32(37)38(26-10-7-22(35)13-27(26)39(41)42)28-14-33(3,4)15-29(40)31(28)30/h5-13,30H,14-15,17,37H2,1-4H3