3-(2-methylsulfanylpropyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-2-imine hydrobromide

Systemtic Name: 3-(2-methylsulfanylpropyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-2-imine hydrobromide Openeye Name: 3-(2-methylsulfanylpropyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine hydrobromide CAS Name: 3-[2-(methylthio)propyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine hydrobromide IUPAC Name: 3-(2-methylsulfanylpropyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine hydrobromide Traditional Name: [3-[2-(methylthio)propyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amine hydrobromide Formula: C12H14BrF3N2OS2 MolecularWeight: 403.28157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=N)SC.Br

Isomeric SMILES

CC(CN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=N)SC.Br

InChI

InChI=1S/C12H13F3N2OS2.BrH/c1-7(19-2)6-17-9-4-3-8(18-12(13,14)15)5-10(9)20-11(17)16;/h3-5,7,16H,6H2,1-2H3;1H