N-[(E)-1-cyano-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-2-methylsulfanyl-4-(trifluoromethyl)benzamide

Systemtic Name: N-[(E)-1-cyano-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-2-methylsulfanyl-4-(trifluoromethyl)benzamide Openeye Name: N-[(1E)-1-[cyano(o-tolyl)methylene]-2,2-dimethyl-propyl]-2-methylsulfanyl-4-(trifluoromethyl)benzamide CAS Name: N-[(E)-1-cyano-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-2-(methylthio)-4-(trifluoromethyl)benzamide IUPAC Name: N-[(E)-1-cyano-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-2-methylsulfanyl-4-(trifluoromethyl)benzamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-(o-tolyl)vinyl]-2-(methylthio)-4-(trifluoromethyl)benzamide Formula: C23H23F3N2OS MolecularWeight: 432.50173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=C(C(C)(C)C)NC(=O)C2=C(C=C(C=C2)C(F)(F)F)SC)C#N

Isomeric SMILES

CC1=CC=CC=C1/C(=C(/C(C)(C)C)\NC(=O)C2=C(C=C(C=C2)C(F)(F)F)SC)/C#N

InChI

InChI=1S/C23H23F3N2OS/c1-14-8-6-7-9-16(14)18(13-27)20(22(2,3)4)28-21(29)17-11-10-15(23(24,25)26)12-19(17)30-5/h6-12H,1-5H3,(H,28,29)/b20-18-