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

Systemtic Name: 3-[(6-methyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]propanoic acid CAS Name: 3-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]propanoic acid IUPAC Name: 3-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-keto-6-methyl-2H-1,2,4-triazin-3-yl)thio]propionic acid Formula: C7H9N3O3S MolecularWeight: 215.22966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC1=O)SCCC(=O)O

Isomeric SMILES

CC1=NNC(=NC1=O)SCCC(=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)