4-(3-methylsulfanyl-1,2,4-triazin-5-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3-methylsulfanyl-1,2,4-triazin-5-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-methylsulfanyl-1,2,4-triazin-5-yl)-4-oxo-butanoic acid CAS Name: 4-[3-(methylthio)-1,2,4-triazin-5-yl]-4-oxobutanoic acid IUPAC Name: 4-(3-methylsulfanyl-1,2,4-triazin-5-yl)-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-(methylthio)-1,2,4-triazin-5-yl]butyric acid Formula: C8H9N3O3S MolecularWeight: 227.24036

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CN=N1)C(=O)CCC(=O)O

Isomeric SMILES

CSC1=NC(=CN=N1)C(=O)CCC(=O)O

InChI

InChI=1S/C8H9N3O3S/c1-15-8-10-5(4-9-11-8)6(12)2-3-7(13)14/h4H,2-3H2,1H3,(H,13,14)