2-(5-sulfanylidene-1,4-dihydropyrazol-4-yl)ethanoic acid

Systemtic Name: 2-(5-sulfanylidene-1,4-dihydropyrazol-4-yl)ethanoic acid Openeye Name: 2-(5-thioxo-1,4-dihydropyrazol-4-yl)acetic acid CAS Name: 2-(5-sulfanylidene-1,4-dihydropyrazol-4-yl)acetic acid IUPAC Name: 2-(5-sulfanylidene-1,4-dihydropyrazol-4-yl)acetic acid Traditional Name: 2-(3-thioxo-2-pyrazolin-4-yl)acetic acid Formula: C5H6N2O2S MolecularWeight: 158.17834

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Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(=S)C1CC(=O)O

Isomeric SMILES

C1=NNC(=S)C1CC(=O)O

InChI

InChI=1S/C5H6N2O2S/c8-4(9)1-3-2-6-7-5(3)10/h2-3H,1H2,(H,7,10)(H,8,9)