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

Systemtic Name: 3-[(6-methyl-3-oxidanylidene-2H-1,2,4-triazin-5-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)thio]methyl]benzoate IUPAC Name: 3-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(3-keto-6-methyl-2H-1,2,4-triazin-5-yl)thio]methyl]benzoate Formula: C12H10N3O3S- MolecularWeight: 276.2911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)N=C1SCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=NNC(=O)N=C1SCC2=CC=CC(=C2)C(=O)[O-]

InChI

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