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

Systemtic Name: 4-[3-[(3-oxidanidyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(3-oxido-5-oxo-2H-1,2,4-triazin-6-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(3-oxido-5-oxo-2H-1,2,4-triazin-6-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(3-oxido-5-oxo-2H-1,2,4-triazin-6-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(5-keto-3-oxido-2H-1,2,4-triazin-6-yl)thio]propoxy]benzoate Formula: C13H11N3O5S-2 MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])OCCCSC2=NNC(=NC2=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])OCCCSC2=NNC(=NC2=O)[O-]

InChI

InChI=1S/C13H13N3O5S/c17-10-11(15-16-13(20)14-10)22-7-1-6-21-9-4-2-8(3-5-9)12(18)19/h2-5H,1,6-7H2,(H,18,19)(H2,14,16,17,20)/p-2