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

Systemtic Name: 2-azanyl-4-[2,4-dimethyl-5-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxidanylidene-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[2,4-dimethyl-5-(o-tolylsulfanylmethyl)phenyl]-5-oxo-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[2,4-dimethyl-5-[[(2-methylphenyl)thio]methyl]phenyl]-5-oxo-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[2,4-dimethyl-5-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[2,4-dimethyl-5-[(o-tolylthio)methyl]phenyl]-5-keto-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C33H30F3N3OS MolecularWeight: 573.67101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC2=C(C=C(C(=C2)C3C(=C(N(C4=C3C(=O)CCC4)C5=CC=C(C=C5)C(F)(F)F)N)C#N)C)C

Isomeric SMILES

CC1=CC=CC=C1SCC2=C(C=C(C(=C2)C3C(=C(N(C4=C3C(=O)CCC4)C5=CC=C(C=C5)C(F)(F)F)N)C#N)C)C

InChI

InChI=1S/C33H30F3N3OS/c1-19-7-4-5-10-29(19)41-18-22-16-25(21(3)15-20(22)2)30-26(17-37)32(38)39(27-8-6-9-28(40)31(27)30)24-13-11-23(12-14-24)33(34,35)36/h4-5,7,10-16,30H,6,8-9,18,38H2,1-3H3