ethyl 5-methylsulfonyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methylsulfonyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-methylsulfonyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methylsulfonyl-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methylsulfonyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-mesyl-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C13H14N2O4S/c1-3-19-13(16)11-9-14-15(12(11)20(2,17)18)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3