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

Systemtic Name: 3-(2-ethylsulfinylethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine Openeye Name: 3-(2-ethylsulfinylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine CAS Name: 3-(2-ethylsulfinylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine IUPAC Name: 3-(2-ethylsulfinylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine Traditional Name: [3-(2-ethylsulfinylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-yl]amine Formula: C12H14F3N2O2S2+ MolecularWeight: 339.37697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3N2O2S2/c1-2-21(18)6-5-17-9-4-3-8(19-12(13,14)15)7-10(9)20-11(17)16/h3-4,7,16H,2,5-6H2,1H3/p+1