3-bromanyl-2,2-dimethyl-N-[3-(trifluoromethylsulfanyl)phenyl]but-3-enamide

Systemtic Name: 3-bromanyl-2,2-dimethyl-N-[3-(trifluoromethylsulfanyl)phenyl]but-3-enamide Openeye Name: 3-bromo-2,2-dimethyl-N-[3-(trifluoromethylsulfanyl)phenyl]but-3-enamide CAS Name: 3-bromo-2,2-dimethyl-N-[3-(trifluoromethylthio)phenyl]-3-butenamide IUPAC Name: 3-bromo-2,2-dimethyl-N-[3-(trifluoromethylsulfanyl)phenyl]but-3-enamide Traditional Name: 3-bromo-2,2-dimethyl-N-[3-(trifluoromethylthio)phenyl]but-3-enamide Formula: C13H13BrF3NOS MolecularWeight: 368.21263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=C)Br)C(=O)NC1=CC(=CC=C1)SC(F)(F)F

Isomeric SMILES

CC(C)(C(=C)Br)C(=O)NC1=CC(=CC=C1)SC(F)(F)F

InChI

InChI=1S/C13H13BrF3NOS/c1-8(14)12(2,3)11(19)18-9-5-4-6-10(7-9)20-13(15,16)17/h4-7H,1H2,2-3H3,(H,18,19)