4-nitro-N-[2,2,2-tris(fluoranyl)ethyl]-1,3-benzothiazol-5-amine

Systemtic Name: 4-nitro-N-[2,2,2-tris(fluoranyl)ethyl]-1,3-benzothiazol-5-amine Openeye Name: 4-nitro-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine CAS Name: 4-nitro-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine IUPAC Name: 4-nitro-N-(2,2,2-trifluoroethyl)-1,3-benzothiazol-5-amine Traditional Name: (4-nitro-1,3-benzothiazol-5-yl)-(2,2,2-trifluoroethyl)amine Formula: C9H6F3N3O2S MolecularWeight: 277.22305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1NCC(F)(F)F)[N+](=O)[O-])N=CS2

Isomeric SMILES

C1=CC2=C(C(=C1NCC(F)(F)F)[N+](=O)[O-])N=CS2

InChI

InChI=1S/C9H6F3N3O2S/c10-9(11,12)3-13-5-1-2-6-7(14-4-18-6)8(5)15(16)17/h1-2,4,13H,3H2