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2-(3-cyano-4-fluoranyl-phenyl)-5-methylsulfonyl-pyrazole-3-carboxylic acid

2-(3-cyano-4-fluoranyl-phenyl)-5-methylsulfonyl-pyrazole-3-carboxylic acid

Systemtic Name:2-(3-cyano-4-fluoranyl-phenyl)-5-methylsulfonyl-pyrazole-3-carboxylic acid
Openeye Name:2-(3-cyano-4-fluoro-phenyl)-5-methylsulfonyl-pyrazole-3-carboxylic acid
CAS Name:2-(3-cyano-4-fluorophenyl)-5-methylsulfonyl-3-pyrazolecarboxylic acid
IUPAC Name:2-(3-cyano-4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxylic acid
Traditional Name:2-(3-cyano-4-fluoro-phenyl)-5-mesyl-pyrazole-3-carboxylic acid
Formula: C12H8FN3O4S
MolecularWeight: 309.273023
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NN(C(=C1)C(=O)O)C2=CC(=C(C=C2)F)C#N


Isomeric SMILES

CS(=O)(=O)C1=NN(C(=C1)C(=O)O)C2=CC(=C(C=C2)F)C#N


InChI

InChI=1S/C12H8FN3O4S/c1-21(19,20)11-5-10(12(17)18)16(15-11)8-2-3-9(13)7(4-8)6-14/h2-5H,1H3,(H,17,18)


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