methyl 2-(cyanomethyl)-4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 2-(cyanomethyl)-4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 2-(cyanomethyl)-4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 2-(cyanomethyl)-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyanomethyl)-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 2-(cyanomethyl)-4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C21H18FN3O5S MolecularWeight: 443.448123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#N)C(=O)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#N)C(=O)OC)F

InChI

InChI=1S/C21H18FN3O5S/c1-29-17-9-6-14(12-16(17)22)18-19(13-4-7-15(8-5-13)31(3,27)28)24-25(11-10-23)20(18)21(26)30-2/h4-9,12H,11H2,1-3H3