5-(2-methylsulfanylethyl)-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-(2-methylsulfanylethyl)-1H-pyrazole-4-carboxylic acid Openeye Name: 5-(2-methylsulfanylethyl)-1H-pyrazole-4-carboxylic acid CAS Name: 5-[2-(methylthio)ethyl]-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-(2-methylsulfanylethyl)-1H-pyrazole-4-carboxylic acid Traditional Name: 5-[2-(methylthio)ethyl]-1H-pyrazole-4-carboxylic acid Formula: C7H10N2O2S MolecularWeight: 186.2315

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1=C(C=NN1)C(=O)O

Isomeric SMILES

CSCCC1=C(C=NN1)C(=O)O

InChI

InChI=1S/C7H10N2O2S/c1-12-3-2-6-5(7(10)11)4-8-9-6/h4H,2-3H2,1H3,(H,8,9)(H,10,11)