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

Systemtic Name: 2-[(6-methyl-5-oxidanidyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Openeye Name: 2-[(6-methyl-5-oxido-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(6-methyl-5-oxido-1,2,4-triazin-3-yl)thio]methyl]benzoate IUPAC Name: 2-[(6-methyl-5-oxido-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(6-methyl-5-oxido-1,2,4-triazin-3-yl)thio]methyl]benzoate Formula: C12H9N3O3S-2 MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC2=CC=CC=C2C(=O)[O-])[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC2=CC=CC=C2C(=O)[O-])[O-]

InChI

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