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

Systemtic Name: 3-(2-phenylsulfanylethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine chloride Openeye Name: 3-(2-phenylsulfanylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine chloride CAS Name: 3-[2-(phenylthio)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine chloride IUPAC Name: 3-(2-phenylsulfanylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine chloride Traditional Name: [3-[2-(phenylthio)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-yl]amine chloride Formula: C16H14ClF3N2OS2 MolecularWeight: 406.87337

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC[N+]2=C(SC3=C2C=CC(=C3)OC(F)(F)F)N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)SCC[N+]2=C(SC3=C2C=CC(=C3)OC(F)(F)F)N.[Cl-]

InChI

InChI=1S/C16H13F3N2OS2.ClH/c17-16(18,19)22-11-6-7-13-14(10-11)24-15(20)21(13)8-9-23-12-4-2-1-3-5-12;/h1-7,10,20H,8-9H2;1H