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

Systemtic Name: 2-azanyl-4-[2,4-dimethyl-5-[(phenylmethylsulfanyl)methyl]phenyl]-7,7-dimethyl-5-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[5-(benzylsulfanylmethyl)-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[2,4-dimethyl-5-[(phenylmethylthio)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[5-(benzylsulfanylmethyl)-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-[(benzylthio)methyl]-2,4-dimethyl-phenyl]-5-keto-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C35H34F3N3OS MolecularWeight: 601.72417

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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(=C4)C(F)(F)F)N)C#N)CSCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC(=C4)C(F)(F)F)N)C#N)CSCC5=CC=CC=C5)C

InChI

InChI=1S/C35H34F3N3OS/c1-21-13-22(2)27(14-24(21)20-43-19-23-9-6-5-7-10-23)31-28(18-39)33(40)41(26-12-8-11-25(15-26)35(36,37)38)29-16-34(3,4)17-30(42)32(29)31/h5-15,31H,16-17,19-20,40H2,1-4H3