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

Systemtic Name: 3-(2-methylsulfanylethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine chloride Openeye Name: 3-(2-methylsulfanylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine chloride CAS Name: 3-[2-(methylthio)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine chloride IUPAC Name: 3-(2-methylsulfanylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine chloride Traditional Name: [3-[2-(methylthio)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-yl]amine chloride Formula: C11H12ClF3N2OS2 MolecularWeight: 344.80399

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Descriptors Computed from Structure

Canonical SMILES:

CSCC[N+]1=C(SC2=C1C=CC(=C2)OC(F)(F)F)N.[Cl-]

Isomeric SMILES

CSCC[N+]1=C(SC2=C1C=CC(=C2)OC(F)(F)F)N.[Cl-]

InChI

InChI=1S/C11H11F3N2OS2.ClH/c1-18-5-4-16-8-3-2-7(17-11(12,13)14)6-9(8)19-10(16)15;/h2-3,6,15H,4-5H2,1H3;1H