2-[[4-methyl-5,6-bis(oxidanylidene)-1,2,4-triazinan-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-methyl-5,6-bis(oxidanylidene)-1,2,4-triazinan-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(4-methyl-5,6-dioxo-1,2,4-triazinan-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-methyl-5,6-dioxo-1,2,4-triazinan-3-yl)thio]acetic acid IUPAC Name: 2-[(4-methyl-5,6-dioxo-1,2,4-triazinan-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5,6-diketo-4-methyl-1,2,4-triazinan-3-yl)thio]acetic acid Formula: C6H9N3O4S MolecularWeight: 219.21836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(NNC(=O)C1=O)SCC(=O)O

Isomeric SMILES

CN1C(NNC(=O)C1=O)SCC(=O)O

InChI

InChI=1S/C6H9N3O4S/c1-9-5(13)4(12)7-8-6(9)14-2-3(10)11/h6,8H,2H2,1H3,(H,7,12)(H,10,11)