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

Systemtic Name: N-ethyl-3-(2-methylsulfanylethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine Openeye Name: N-ethyl-3-(2-methylsulfanylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine CAS Name: N-ethyl-3-[2-(methylthio)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine IUPAC Name: N-ethyl-3-(2-methylsulfanylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine Traditional Name: ethyl-[3-[2-(methylthio)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-yl]amine Formula: C13H16F3N2OS2+ MolecularWeight: 337.40415

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=[N+](C2=C(S1)C=C(C=C2)OC(F)(F)F)CCSC

Isomeric SMILES

CCNC1=[N+](C2=C(S1)C=C(C=C2)OC(F)(F)F)CCSC

InChI

InChI=1S/C13H15F3N2OS2/c1-3-17-12-18(6-7-20-2)10-5-4-9(8-11(10)21-12)19-13(14,15)16/h4-5,8H,3,6-7H2,1-2H3/p+1