1-methyl-3-methylsulfanyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-3-methylsulfanyl-pyrazole-4-carboxylic acid Openeye Name: 1-methyl-3-methylsulfanyl-pyrazole-4-carboxylic acid CAS Name: 1-methyl-3-(methylthio)-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-3-methylsulfanylpyrazole-4-carboxylic acid Traditional Name: 1-methyl-3-(methylthio)pyrazole-4-carboxylic acid Formula: C6H8N2O2S MolecularWeight: 172.20492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)SC)C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)SC)C(=O)O

InChI

InChI=1S/C6H8N2O2S/c1-8-3-4(6(9)10)5(7-8)11-2/h3H,1-2H3,(H,9,10)