N-methyl-3-(2-methylsulfanylethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-2-imine hydrochloride

Systemtic Name: N-methyl-3-(2-methylsulfanylethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-2-imine hydrochloride Openeye Name: N-methyl-3-(2-methylsulfanylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine hydrochloride CAS Name: N-methyl-3-[2-(methylthio)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine hydrochloride IUPAC Name: N-methyl-3-(2-methylsulfanylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine hydrochloride Traditional Name: methyl-[3-[2-(methylthio)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amine hydrochloride Formula: C12H14ClF3N2OS2 MolecularWeight: 358.83057

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1N(C2=C(S1)C=C(C=C2)OC(F)(F)F)CCSC.Cl

Isomeric SMILES

CN=C1N(C2=C(S1)C=C(C=C2)OC(F)(F)F)CCSC.Cl

InChI

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