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

Systemtic Name: 4-chloranyl-1-(5-methylsulfonylpyridin-2-yl)-5-phenyl-pyrazole-3-carboxylic acid Openeye Name: 4-chloro-1-(5-methylsulfonyl-2-pyridyl)-5-phenyl-pyrazole-3-carboxylic acid CAS Name: 4-chloro-1-(5-methylsulfonyl-2-pyridinyl)-5-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 4-chloro-1-(5-methylsulfonylpyridin-2-yl)-5-phenylpyrazole-3-carboxylic acid Traditional Name: 4-chloro-1-(5-mesyl-2-pyridyl)-5-phenyl-pyrazole-3-carboxylic acid Formula: C16H12ClN3O4S MolecularWeight: 377.80218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O4S/c1-25(23,24)11-7-8-12(18-9-11)20-15(10-5-3-2-4-6-10)13(17)14(19-20)16(21)22/h2-9H,1H3,(H,21,22)