2-azanyl-4-[3-[[2,5-bis(chloranyl)phenyl]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-[[2,5-bis(chloranyl)phenyl]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-[(2,5-dichlorophenyl)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-[[(2,5-dichlorophenyl)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-[(2,5-dichlorophenyl)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-[[(2,5-dichlorophenyl)thio]methyl]-2,5-dimethyl-phenyl]-5-keto-7,7-dimethyl-1-[4-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C34H30Cl2F3N3OS MolecularWeight: 656.58771

Click to see the large picture

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=C(C=CC(=C5)Cl)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=C(C=CC(=C5)Cl)Cl

InChI

InChI=1S/C34H30Cl2F3N3OS/c1-18-11-20(17-44-29-13-22(35)7-10-26(29)36)19(2)24(12-18)30-25(16-40)32(41)42(23-8-5-21(6-9-23)34(37,38)39)27-14-33(3,4)15-28(43)31(27)30/h5-13,30H,14-15,17,41H2,1-4H3