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

Systemtic Name: ethyl 1-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 5-(4-methylsulfonylphenyl)-1-[4-(methylthio)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 5-(4-mesylphenyl)-1-[4-(methylthio)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S2/c1-4-26-20(23)18-13-19(14-5-11-17(12-6-14)28(3,24)25)22(21-18)15-7-9-16(27-2)10-8-15/h5-13H,4H2,1-3H3