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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC2=C(C(=CC(=C2)C)C3C(=C(N(C4=C3C(=O)CCC4)C5=CC=CC=C5C(F)(F)F)N)C#N)C

Isomeric SMILES

CC1=CC=CC=C1SCC2=C(C(=CC(=C2)C)C3C(=C(N(C4=C3C(=O)CCC4)C5=CC=CC=C5C(F)(F)F)N)C#N)C

InChI

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