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

Systemtic Name: 2-azanyl-4-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[5-[[(4-fluorophenyl)thio]methyl]-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(4-fluorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-[[(4-fluorophenyl)thio]methyl]-2,4-dimethyl-phenyl]-5-keto-7,7-dimethyl-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C34H31F4N3OS MolecularWeight: 605.688053

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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=CC=CC=C4C(F)(F)F)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=CC=CC=C4C(F)(F)F)N)C#N)CSC5=CC=C(C=C5)F)C

InChI

InChI=1S/C34H31F4N3OS/c1-19-13-20(2)24(14-21(19)18-43-23-11-9-22(35)10-12-23)30-25(17-39)32(40)41(27-8-6-5-7-26(27)34(36,37)38)28-15-33(3,4)16-29(42)31(28)30/h5-14,30H,15-16,18,40H2,1-4H3