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

Systemtic Name: 2-azanyl-4-[3-[(4-chlorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-1-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-[(4-chlorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxo-1-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[3-[[(4-chlorophenyl)thio]methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-1-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(4-chlorophenyl)sulfanylmethyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-1-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[[(4-chlorophenyl)thio]methyl]-2,5-dimethyl-phenyl]-5-keto-7,7-dimethyl-1-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C34H31ClF3N3OS MolecularWeight: 622.14265

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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=C(C=C4)C(F)(F)F)N)C#N)C)CSC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)C(F)(F)F)N)C#N)C)CSC5=CC=C(C=C5)Cl

InChI

InChI=1S/C34H31ClF3N3OS/c1-19-13-21(18-43-25-11-7-23(35)8-12-25)20(2)26(14-19)30-27(17-39)32(40)41(24-9-5-22(6-10-24)34(36,37)38)28-15-33(3,4)16-29(42)31(28)30/h5-14,30H,15-16,18,40H2,1-4H3