3-[(6-methyl-5-oxidanidyl-1,2,4-triazin-3-yl)sulfanyl]propanoate

Systemtic Name: 3-[(6-methyl-5-oxidanidyl-1,2,4-triazin-3-yl)sulfanyl]propanoate Openeye Name: 3-[(6-methyl-5-oxido-1,2,4-triazin-3-yl)sulfanyl]propanoate CAS Name: 3-[(6-methyl-5-oxido-1,2,4-triazin-3-yl)thio]propanoate IUPAC Name: 3-[(6-methyl-5-oxido-1,2,4-triazin-3-yl)sulfanyl]propanoate Traditional Name: 3-[(6-methyl-5-oxido-1,2,4-triazin-3-yl)thio]propionate Formula: C7H7N3O3S-2 MolecularWeight: 213.21378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCCC(=O)[O-])[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCCC(=O)[O-])[O-]

InChI

InChI=1S/C7H9N3O3S/c1-4-6(13)8-7(10-9-4)14-3-2-5(11)12/h2-3H2,1H3,(H,11,12)(H,8,10,13)/p-2