ethyl 5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-(2-furyl)phenyl]-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 5-[4-(2-furanyl)phenyl]-1-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 5-[4-(2-furyl)phenyl]-1-(4-mesylphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)C3=CC=CO3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)C3=CC=CO3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H20N2O5S/c1-3-29-23(26)20-15-21(16-6-8-17(9-7-16)22-5-4-14-30-22)25(24-20)18-10-12-19(13-11-18)31(2,27)28/h4-15H,3H2,1-2H3