5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid Openeye Name: 5-[4-(2-furyl)phenyl]-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid CAS Name: 5-[4-(2-furanyl)phenyl]-1-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid Traditional Name: 5-[4-(2-furyl)phenyl]-1-(4-mesylphenyl)pyrazole-3-carboxylic acid Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)C4=CC=CO4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C21H16N2O5S/c1-29(26,27)17-10-8-16(9-11-17)23-19(13-18(22-23)21(24)25)14-4-6-15(7-5-14)20-3-2-12-28-20/h2-13H,1H3,(H,24,25)