1-(5-methylsulfonylpyridin-2-yl)-5-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-(5-methylsulfonylpyridin-2-yl)-5-phenyl-pyrazole-3-carboxylic acid Openeye Name: 1-(5-methylsulfonyl-2-pyridyl)-5-phenyl-pyrazole-3-carboxylic acid CAS Name: 1-(5-methylsulfonyl-2-pyridinyl)-5-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 1-(5-methylsulfonylpyridin-2-yl)-5-phenylpyrazole-3-carboxylic acid Traditional Name: 1-(5-mesyl-2-pyridyl)-5-phenyl-pyrazole-3-carboxylic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O4S/c1-24(22,23)12-7-8-15(17-10-12)19-14(9-13(18-19)16(20)21)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,21)