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

Systemtic Name: 2-[[6-[(2-nitrophenyl)methyl]-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[6-[(2-nitrophenyl)methyl]-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]acetate CAS Name: 2-[[6-[(2-nitrophenyl)methyl]-5-oxo-2H-1,2,4-triazin-3-yl]thio]acetate IUPAC Name: 2-[[6-[(2-nitrophenyl)methyl]-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-keto-6-(2-nitrobenzyl)-2H-1,2,4-triazin-3-yl]thio]acetate Formula: C12H9N4O5S- MolecularWeight: 321.28866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O5S/c17-10(18)6-22-12-13-11(19)8(14-15-12)5-7-3-1-2-4-9(7)16(20)21/h1-4H,5-6H2,(H,17,18)(H,13,15,19)/p-1