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

Systemtic Name: 3-(methylsulfinylmethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine Openeye Name: 3-(methylsulfinylmethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine CAS Name: 3-(methylsulfinylmethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine IUPAC Name: 3-(methylsulfinylmethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine Traditional Name: [3-(methylsulfinylmethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-yl]amine Formula: C10H10F3N2O2S2+ MolecularWeight: 311.32381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9F3N2O2S2/c1-19(16)5-15-7-3-2-6(17-10(11,12)13)4-8(7)18-9(15)14/h2-4,14H,5H2,1H3/p+1