3-[3-(carboxymethylsulfanyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid

Systemtic Name: 3-[3-(carboxymethylsulfanyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[3-(carboxymethylsulfanyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[3-(carboxymethylthio)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[3-(carboxymethylsulfanyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[3-(carboxymethylthio)-5-keto-2H-1,2,4-triazin-6-yl]propionic acid Formula: C8H9N3O5S MolecularWeight: 259.23916

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)C1=NNC(=NC1=O)SCC(=O)O

Isomeric SMILES

C(CC(=O)O)C1=NNC(=NC1=O)SCC(=O)O

InChI

InChI=1S/C8H9N3O5S/c12-5(13)2-1-4-7(16)9-8(11-10-4)17-3-6(14)15/h1-3H2,(H,12,13)(H,14,15)(H,9,11,16)