ethyl 1-(4-methylsulfonylphenyl)-5-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-methylsulfonylphenyl)-5-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-methylsulfonylphenyl)-5-phenyl-pyrazole-3-carboxylate CAS Name: 1-(4-methylsulfonylphenyl)-5-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylsulfonylphenyl)-5-phenylpyrazole-3-carboxylate Traditional Name: 1-(4-mesylphenyl)-5-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H18N2O4S/c1-3-25-19(22)17-13-18(14-7-5-4-6-8-14)21(20-17)15-9-11-16(12-10-15)26(2,23)24/h4-13H,3H2,1-2H3