(2S)-2-[(3-oxidanidyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate

Systemtic Name: (2S)-2-[(3-oxidanidyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate Openeye Name: (2S)-2-[(3-oxido-5-oxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate CAS Name: (2S)-2-[(3-oxido-5-oxo-2H-1,2,4-triazin-6-yl)thio]butanoate IUPAC Name: (2S)-2-[(3-oxido-5-oxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate Traditional Name: (2S)-2-[(5-keto-3-oxido-2H-1,2,4-triazin-6-yl)thio]butyrate Formula: C7H7N3O4S-2 MolecularWeight: 229.21318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NNC(=NC1=O)[O-]

Isomeric SMILES

CC[C@@H](C(=O)[O-])SC1=NNC(=NC1=O)[O-]

InChI

InChI=1S/C7H9N3O4S/c1-2-3(6(12)13)15-5-4(11)8-7(14)10-9-5/h3H,2H2,1H3,(H,12,13)(H2,8,10,11,14)/p-2/t3-/m0/s1