2-[2-(methylcarbamothioyl)-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-(methylcarbamothioyl)-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[2-(methylcarbamothioyl)-3-oxo-1H-pyrazol-4-yl]acetic acid CAS Name: 2-[2-[methylamino(sulfanylidene)methyl]-3-oxo-1H-pyrazol-4-yl]acetic acid IUPAC Name: 2-[2-(methylcarbamothioyl)-3-oxo-1H-pyrazol-4-yl]acetic acid Traditional Name: 2-[5-keto-1-(methylthiocarbamoyl)-3-pyrazolin-4-yl]acetic acid Formula: C7H9N3O3S MolecularWeight: 215.22966

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1C(=O)C(=CN1)CC(=O)O

Isomeric SMILES

CNC(=S)N1C(=O)C(=CN1)CC(=O)O

InChI

InChI=1S/C7H9N3O3S/c1-8-7(14)10-6(13)4(3-9-10)2-5(11)12/h3,9H,2H2,1H3,(H,8,14)(H,11,12)