2-(4-chlorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylic acid CAS Name: 2-(4-chlorophenyl)-5-[4-(methylthio)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-5-[4-(methylthio)phenyl]pyrazole-3-carboxylic acid Formula: C17H13ClN2O2S MolecularWeight: 344.81532

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN2O2S/c1-23-14-8-2-11(3-9-14)15-10-16(17(21)22)20(19-15)13-6-4-12(18)5-7-13/h2-10H,1H3,(H,21,22)