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

Systemtic Name: 1-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid CAS Name: 5-(4-methylsulfonylphenyl)-1-[4-(methylthio)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid Traditional Name: 5-(4-mesylphenyl)-1-[4-(methylthio)phenyl]pyrazole-3-carboxylic acid Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H16N2O4S2/c1-25-14-7-5-13(6-8-14)20-17(11-16(19-20)18(21)22)12-3-9-15(10-4-12)26(2,23)24/h3-11H,1-2H3,(H,21,22)