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

Systemtic Name: 4-[2-[(3-oxidanidyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[(3-oxido-5-oxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-oxido-5-oxo-2H-1,2,4-triazin-6-yl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[(3-oxido-5-oxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-keto-3-oxido-2H-1,2,4-triazin-6-yl)thio]acetyl]amino]benzoate Formula: C12H8N4O5S-2 MolecularWeight: 320.28072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=O)CSC2=NNC(=NC2=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=O)CSC2=NNC(=NC2=O)[O-]

InChI

InChI=1S/C12H10N4O5S/c17-8(5-22-10-9(18)14-12(21)16-15-10)13-7-3-1-6(2-4-7)11(19)20/h1-4H,5H2,(H,13,17)(H,19,20)(H2,14,16,18,21)/p-2