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

Systemtic Name: 4-[2-[(3-oxidanidyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl)sulfanyl]ethoxy]benzoate Openeye Name: 4-[2-[(3-oxido-5-oxo-2H-1,2,4-triazin-6-yl)sulfanyl]ethoxy]benzoate CAS Name: 4-[2-[(3-oxido-5-oxo-2H-1,2,4-triazin-6-yl)thio]ethoxy]benzoate IUPAC Name: 4-[2-[(3-oxido-5-oxo-2H-1,2,4-triazin-6-yl)sulfanyl]ethoxy]benzoate Traditional Name: 4-[2-[(5-keto-3-oxido-2H-1,2,4-triazin-6-yl)thio]ethoxy]benzoate Formula: C12H9N3O5S-2 MolecularWeight: 307.28196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])OCCSC2=NNC(=NC2=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])OCCSC2=NNC(=NC2=O)[O-]

InChI

InChI=1S/C12H11N3O5S/c16-9-10(14-15-12(19)13-9)21-6-5-20-8-3-1-7(2-4-8)11(17)18/h1-4H,5-6H2,(H,17,18)(H2,13,15,16,19)/p-2