4-[3-cyano-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[3-cyano-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzoic acid Openeye Name: 4-[3-cyano-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[3-cyano-5-(4-methylsulfonylphenyl)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[3-cyano-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzoic acid Traditional Name: 4-[3-cyano-5-(4-mesylphenyl)pyrazol-1-yl]benzoic acid Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C18H13N3O4S/c1-26(24,25)16-8-4-12(5-9-16)17-10-14(11-19)20-21(17)15-6-2-13(3-7-15)18(22)23/h2-10H,1H3,(H,22,23)