7-nitro-3-oxidanidyl-5-(trifluoromethylsulfanyl)-1,3-benzothiazol-3-ium-2-carboxamide

Systemtic Name: 7-nitro-3-oxidanidyl-5-(trifluoromethylsulfanyl)-1,3-benzothiazol-3-ium-2-carboxamide Openeye Name: 7-nitro-3-oxido-5-(trifluoromethylsulfanyl)-1,3-benzothiazol-3-ium-2-carboxamide CAS Name: 7-nitro-3-oxido-5-(trifluoromethylthio)-1,3-benzothiazol-3-ium-2-carboxamide IUPAC Name: 7-nitro-3-oxido-5-(trifluoromethylsulfanyl)-1,3-benzothiazol-3-ium-2-carboxamide Traditional Name: 7-nitro-3-oxido-5-(trifluoromethylthio)-1,3-benzothiazol-3-ium-2-carboxamide Formula: C9H4F3N3O4S2 MolecularWeight: 339.27097

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1[N+](=O)[O-])SC(=[N+]2[O-])C(=O)N)SC(F)(F)F

Isomeric SMILES

C1=C(C=C2C(=C1[N+](=O)[O-])SC(=[N+]2[O-])C(=O)N)SC(F)(F)F

InChI

InChI=1S/C9H4F3N3O4S2/c10-9(11,12)21-3-1-4-6(5(2-3)15(18)19)20-8(7(13)16)14(4)17/h1-2H,(H2,13,16)