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

Systemtic Name: 2-azanyl-1-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-[2,4-dimethyl-5-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,4-dimethyl-5-(o-tolylsulfanylmethyl)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,4-dimethyl-5-[[(2-methylphenyl)thio]methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,4-dimethyl-5-[(2-methylphenyl)sulfanylmethyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2,4-dimethyl-5-[(o-tolylthio)methyl]phenyl]-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C33H29ClF3N3OS MolecularWeight: 608.11607

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

Isomeric SMILES

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

InChI

InChI=1S/C33H29ClF3N3OS/c1-18-7-4-5-10-29(18)42-17-21-14-23(20(3)13-19(21)2)30-24(16-38)32(39)40(26-8-6-9-28(41)31(26)30)27-15-22(33(35,36)37)11-12-25(27)34/h4-5,7,10-15,30H,6,8-9,17,39H2,1-3H3