2-[[6-(4-methylphenyl)-5-oxidanidyl-1,2,4-triazin-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[6-(4-methylphenyl)-5-oxidanidyl-1,2,4-triazin-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-oxido-6-(p-tolyl)-1,2,4-triazin-3-yl]sulfanyl]acetate CAS Name: 2-[[6-(4-methylphenyl)-5-oxido-1,2,4-triazin-3-yl]thio]acetate IUPAC Name: 2-[[6-(4-methylphenyl)-5-oxido-1,2,4-triazin-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-oxido-6-(p-tolyl)-1,2,4-triazin-3-yl]thio]acetate Formula: C12H9N3O3S-2 MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(N=N2)SCC(=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(N=N2)SCC(=O)[O-])[O-]

InChI

InChI=1S/C12H11N3O3S/c1-7-2-4-8(5-3-7)10-11(18)13-12(15-14-10)19-6-9(16)17/h2-5H,6H2,1H3,(H,16,17)(H,13,15,18)/p-2