3-(2-ethylsulfanylethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine

Systemtic Name: 3-(2-ethylsulfanylethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine Openeye Name: 3-(2-ethylsulfanylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine CAS Name: 3-[2-(ethylthio)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine IUPAC Name: 3-(2-ethylsulfanylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine Traditional Name: [3-[2-(ethylthio)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-yl]amine Formula: C12H14F3N2OS2+ MolecularWeight: 323.37757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCC[N+]1=C(SC2=C1C=CC(=C2)OC(F)(F)F)N

Isomeric SMILES

CCSCC[N+]1=C(SC2=C1C=CC(=C2)OC(F)(F)F)N

InChI

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