7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carbonitrile

Systemtic Name: 7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carbonitrile Openeye Name: 7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carbonitrile CAS Name: 7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carbonitrile IUPAC Name: 7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carbonitrile Traditional Name: 7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carbonitrile Formula: C9H2F3N3O3S MolecularWeight: 289.19069

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1[N+](=C(S2)C#N)[O-])[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=C(C2=C1[N+](=C(S2)C#N)[O-])[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C9H2F3N3O3S/c10-9(11,12)4-1-5-8(6(2-4)15(17)18)19-7(3-13)14(5)16/h1-2H