ethyl 2-(3-cyano-4-fluoranyl-phenyl)-5-methylsulfonyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-(3-cyano-4-fluoranyl-phenyl)-5-methylsulfonyl-pyrazole-3-carboxylate Openeye Name: ethyl 2-(3-cyano-4-fluoro-phenyl)-5-methylsulfonyl-pyrazole-3-carboxylate CAS Name: 2-(3-cyano-4-fluorophenyl)-5-methylsulfonyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-cyano-4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxylate Traditional Name: 2-(3-cyano-4-fluoro-phenyl)-5-mesyl-pyrazole-3-carboxylic acid ethyl ester Formula: C14H12FN3O4S MolecularWeight: 337.326183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C2=CC(=C(C=C2)F)C#N)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C2=CC(=C(C=C2)F)C#N)S(=O)(=O)C

InChI

InChI=1S/C14H12FN3O4S/c1-3-22-14(19)12-7-13(23(2,20)21)17-18(12)10-4-5-11(15)9(6-10)8-16/h4-7H,3H2,1-2H3