disodium 3-(5-sulfanylidene-1,2-dihydro-1,2,3-triazol-4-yl)propanoic acid

Systemtic Name: disodium 3-(5-sulfanylidene-1,2-dihydro-1,2,3-triazol-4-yl)propanoic acid Openeye Name: disodium 3-(5-thioxo-1,2-dihydrotriazol-4-yl)propanoic acid CAS Name: disodium 3-(5-sulfanylidene-1,2-dihydrotriazol-4-yl)propanoic acid IUPAC Name: disodium 3-(5-sulfanylidene-1,2-dihydrotriazol-4-yl)propanoic acid Traditional Name: disodium 3-(5-thioxo-1,2-dihydrotriazol-4-yl)propionic acid Formula: C5H7N3Na2O2S+2 MolecularWeight: 219.17252

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)C1=NNNC1=S.[Na+].[Na+]

Isomeric SMILES

C(CC(=O)O)C1=NNNC1=S.[Na+].[Na+]

InChI

InChI=1S/C5H7N3O2S.2Na/c9-4(10)2-1-3-5(11)7-8-6-3;;/h1-2H2,(H,9,10)(H2,6,7,8,11);;/q;2*+1