ethyl 1-(3-methylphenyl)-5-methylsulfonyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(3-methylphenyl)-5-methylsulfonyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-methylsulfonyl-1-(m-tolyl)pyrazole-4-carboxylate CAS Name: 1-(3-methylphenyl)-5-methylsulfonyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylphenyl)-5-methylsulfonylpyrazole-4-carboxylate Traditional Name: 5-mesyl-1-(m-tolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c1-4-20-14(17)12-9-15-16(13(12)21(3,18)19)11-7-5-6-10(2)8-11/h5-9H,4H2,1-3H3