3-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-[4-(methylthio)phenyl]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[4-(methylthio)phenyl]-1H-pyrazole-5-carboxylic acid Formula: C11H10N2O2S MolecularWeight: 234.2743

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O

InChI

InChI=1S/C11H10N2O2S/c1-16-8-4-2-7(3-5-8)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)