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

Systemtic Name: 3-(2-propylsulfanylethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine chloride Openeye Name: 3-(2-propylsulfanylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine chloride CAS Name: 3-[2-(propylthio)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine chloride IUPAC Name: 3-(2-propylsulfanylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine chloride Traditional Name: [3-[2-(propylthio)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-yl]amine chloride Formula: C13H16ClF3N2OS2 MolecularWeight: 372.85715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3N2OS2.ClH/c1-2-6-20-7-5-18-10-4-3-9(19-13(14,15)16)8-11(10)21-12(18)17;/h3-4,8,17H,2,5-7H2,1H3;1H