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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2C=CC(=N2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)N2C=CC(=N2)C(=O)O

InChI

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