3-[2-(phenylsulfinyl)ethyl]-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine

Systemtic Name: 3-[2-(phenylsulfinyl)ethyl]-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine Openeye Name: 3-[2-(benzenesulfinyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine CAS Name: 3-[2-(benzenesulfinyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine IUPAC Name: 3-[2-(benzenesulfinyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine Traditional Name: [3-[2-(benzenesulfinyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-yl]amine Formula: C16H14F3N2O2S2+ MolecularWeight: 387.41977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)CC[N+]2=C(SC3=C2C=CC(=C3)OC(F)(F)F)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)CC[N+]2=C(SC3=C2C=CC(=C3)OC(F)(F)F)N

InChI

InChI=1S/C16H13F3N2O2S2/c17-16(18,19)23-11-6-7-13-14(10-11)24-15(20)21(13)8-9-25(22)12-4-2-1-3-5-12/h1-7,10,20H,8-9H2/p+1