2-(2-carbamothioyl-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl)ethanoic acid

Systemtic Name: 2-(2-carbamothioyl-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl)ethanoic acid Openeye Name: 2-(2-carbamothioyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid CAS Name: 2-(2-carbamothioyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid IUPAC Name: 2-(2-carbamothioyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid Traditional Name: 2-(5-keto-3-methyl-1-thiocarbamoyl-3-pyrazolin-4-yl)acetic acid Formula: C7H9N3O3S MolecularWeight: 215.22966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C(=S)N)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C(=S)N)CC(=O)O

InChI

InChI=1S/C7H9N3O3S/c1-3-4(2-5(11)12)6(13)10(9-3)7(8)14/h9H,2H2,1H3,(H2,8,14)(H,11,12)