2-(1-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl)ethanoic acid

Systemtic Name: 2-(1-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl)ethanoic acid Openeye Name: 2-(1-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl)acetic acid CAS Name: 2-(3-mercapto-1-methyl-1,2,4-triazolidin-4-yl)acetic acid IUPAC Name: 2-(1-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl)acetic acid Traditional Name: 2-(3-mercapto-1-methyl-1,2,4-triazolidin-4-yl)acetic acid Formula: C5H11N3O2S MolecularWeight: 177.22474

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C(N1)S)CC(=O)O

Isomeric SMILES

CN1CN(C(N1)S)CC(=O)O

InChI

InChI=1S/C5H11N3O2S/c1-7-3-8(2-4(9)10)5(11)6-7/h5-6,11H,2-3H2,1H3,(H,9,10)