(2-azanyl-2-oxidanylidene-ethyl) 1-sulfanidyl-5-(trifluoromethyl)-1H-pyrazol-1-ium-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 1-sulfanidyl-5-(trifluoromethyl)-1H-pyrazol-1-ium-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 1-sulfido-5-(trifluoromethyl)-1H-pyrazol-1-ium-4-carboxylate CAS Name: 1-sulfido-5-(trifluoromethyl)-1H-pyrazol-1-ium-4-carboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 1-sulfido-5-(trifluoromethyl)-1H-pyrazol-1-ium-4-carboxylate Traditional Name: 1-sulfido-5-(trifluoromethyl)-1H-pyrazol-1-ium-4-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C7H6F3N3O3S MolecularWeight: 269.20105

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Descriptors Computed from Structure

Canonical SMILES:

C1=N[NH+](C(=C1C(=O)OCC(=O)N)C(F)(F)F)[S-]

Isomeric SMILES

C1=N[NH+](C(=C1C(=O)OCC(=O)N)C(F)(F)F)[S-]

InChI

InChI=1S/C7H6F3N3O3S/c8-7(9,10)5-3(1-12-13(5)17)6(15)16-2-4(11)14/h1,13H,2H2,(H2,11,14)