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

Systemtic Name: 2-azanyl-1-(4-fluoranyl-2-nitro-phenyl)-4-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-fluoro-2-nitro-phenyl)-4-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(4-fluoro-2-nitrophenyl)-4-[5-[[(4-fluorophenyl)thio]methyl]-2,4-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-fluoro-2-nitrophenyl)-4-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-fluoro-2-nitro-phenyl)-4-[5-[[(4-fluorophenyl)thio]methyl]-2,4-dimethyl-phenyl]-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C31H26F2N4O3S MolecularWeight: 572.624946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)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)CCC3)C4=C(C=C(C=C4)F)[N+](=O)[O-])N)C#N)CSC5=CC=C(C=C5)F)C

InChI

InChI=1S/C31H26F2N4O3S/c1-17-12-18(2)23(13-19(17)16-41-22-9-6-20(32)7-10-22)29-24(15-34)31(35)36(26-4-3-5-28(38)30(26)29)25-11-8-21(33)14-27(25)37(39)40/h6-14,29H,3-5,16,35H2,1-2H3