2-[[5-oxidanylidene-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-oxidanylidene-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]sulfanyl]ethanoate Openeye Name: 2-[(6-benzyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetate CAS Name: 2-[[5-oxo-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]thio]acetate IUPAC Name: 2-[(6-benzyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetate Traditional Name: 2-[(6-benzyl-5-keto-2H-1,2,4-triazin-3-yl)thio]acetate Formula: C12H10N3O3S- MolecularWeight: 276.2911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC(=O)[O-]

InChI

InChI=1S/C12H11N3O3S/c16-10(17)7-19-12-13-11(18)9(14-15-12)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,16,17)(H,13,15,18)/p-1