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

Systemtic Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-2-methoxy-4-methylsulfanyl-benzamide Openeye Name: N-[(1E)-1-[cyano-[3-(trifluoromethyl)phenyl]methylene]-2,2-dimethyl-propyl]-2-methoxy-4-methylsulfanyl-benzamide CAS Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-2-methoxy-4-(methylthio)benzamide IUPAC Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-2-methoxy-4-methylsulfanylbenzamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-[3-(trifluoromethyl)phenyl]vinyl]-2-methoxy-4-(methylthio)benzamide Formula: C23H23F3N2O2S MolecularWeight: 448.50113

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C(C#N)C1=CC(=CC=C1)C(F)(F)F)NC(=O)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H23F3N2O2S/c1-22(2,3)20(18(13-27)14-7-6-8-15(11-14)23(24,25)26)28-21(29)17-10-9-16(31-5)12-19(17)30-4/h6-12H,1-5H3,(H,28,29)/b20-18-