4-[(3-oxidanidyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(3-oxidanidyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(3-oxido-5-oxo-2H-1,2,4-triazin-6-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-oxido-5-oxo-2H-1,2,4-triazin-6-yl)thio]methyl]benzoate IUPAC Name: 4-[(3-oxido-5-oxo-2H-1,2,4-triazin-6-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-keto-3-oxido-2H-1,2,4-triazin-6-yl)thio]methyl]benzoate Formula: C11H7N3O4S-2 MolecularWeight: 277.25598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NNC(=NC2=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NNC(=NC2=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H9N3O4S/c15-8-9(13-14-11(18)12-8)19-5-6-1-3-7(4-2-6)10(16)17/h1-4H,5H2,(H,16,17)(H2,12,14,15,18)/p-2