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

Systemtic Name: 3-[[4-methyl-5,6-bis(oxidanylidene)-1,2,4-triazinan-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[(4-methyl-5,6-dioxo-1,2,4-triazinan-3-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-methyl-5,6-dioxo-1,2,4-triazinan-3-yl)thio]propanoic acid IUPAC Name: 3-[(4-methyl-5,6-dioxo-1,2,4-triazinan-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5,6-diketo-4-methyl-1,2,4-triazinan-3-yl)thio]propionic acid Formula: C7H11N3O4S MolecularWeight: 233.24494

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(NNC(=O)C1=O)SCCC(=O)O

Isomeric SMILES

CN1C(NNC(=O)C1=O)SCCC(=O)O

InChI

InChI=1S/C7H11N3O4S/c1-10-6(14)5(13)8-9-7(10)15-3-2-4(11)12/h7,9H,2-3H2,1H3,(H,8,13)(H,11,12)