2-[5-methyl-2-(methylcarbamothioyl)-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[5-methyl-2-(methylcarbamothioyl)-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[5-methyl-2-(methylcarbamothioyl)-3-oxo-1H-pyrazol-4-yl]acetic acid CAS Name: 2-[5-methyl-2-[methylamino(sulfanylidene)methyl]-3-oxo-1H-pyrazol-4-yl]acetic acid IUPAC Name: 2-[5-methyl-2-(methylcarbamothioyl)-3-oxo-1H-pyrazol-4-yl]acetic acid Traditional Name: 2-[5-keto-3-methyl-1-(methylthiocarbamoyl)-3-pyrazolin-4-yl]acetic acid Formula: C8H11N3O3S MolecularWeight: 229.25624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N3O3S/c1-4-5(3-6(12)13)7(14)11(10-4)8(15)9-2/h10H,3H2,1-2H3,(H,9,15)(H,12,13)