N-(2-tert-butylsulfanylethyl)-7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Openeye Name: N-(2-tert-butylsulfanylethyl)-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide CAS Name: N-[2-(tert-butylthio)ethyl]-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Traditional Name: N-[2-(tert-butylthio)ethyl]-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Formula: C15H16F3N3O4S2 MolecularWeight: 423.43045

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1=[N+](C2=C(S1)C(=CC(=C2)C(F)(F)F)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1=[N+](C2=C(S1)C(=CC(=C2)C(F)(F)F)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H16F3N3O4S2/c1-14(2,3)26-5-4-19-12(22)13-20(23)9-6-8(15(16,17)18)7-10(21(24)25)11(9)27-13/h6-7H,4-5H2,1-3H3,(H,19,22)