2-[4,5,6-tris(fluoranyl)-1,3-benzothiazol-2-yl]ethylazanium

Systemtic Name: 2-[4,5,6-tris(fluoranyl)-1,3-benzothiazol-2-yl]ethylazanium Openeye Name: 2-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)ethylammonium CAS Name: 2-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)ethylammonium IUPAC Name: 2-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)ethylazanium Traditional Name: 2-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)ethylammonium Formula: C9H8F3N2S+ MolecularWeight: 233.23343

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C2=C1SC(=N2)CC[NH3+])F)F)F

Isomeric SMILES

C1=C(C(=C(C2=C1SC(=N2)CC[NH3+])F)F)F

InChI

InChI=1S/C9H7F3N2S/c10-4-3-5-9(8(12)7(4)11)14-6(15-5)1-2-13/h3H,1-2,13H2/p+1