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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)N=C1SCCC(=O)O

Isomeric SMILES

CC1=NNC(=O)N=C1SCCC(=O)O

InChI

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