N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-3-methyl-but-2-enamide

Systemtic Name: N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-3-methyl-but-2-enamide Openeye Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-3-methyl-but-2-enamide CAS Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-3-methyl-2-butenamide IUPAC Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-3-methylbut-2-enamide Traditional Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-3-methyl-but-2-enamide Formula: C13H12F2N2OS2 MolecularWeight: 314.373986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=NC2=C(S1)C=C(C=C2)SC(F)F)C

Isomeric SMILES

CC(=CC(=O)NC1=NC2=C(S1)C=C(C=C2)SC(F)F)C

InChI

InChI=1S/C13H12F2N2OS2/c1-7(2)5-11(18)17-13-16-9-4-3-8(19-12(14)15)6-10(9)20-13/h3-6,12H,1-2H3,(H,16,17,18)