methyl 1-(4-chlorophenyl)-5-[(E)-2-cyano-2-(phenylsulfonyl)ethenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 1-(4-chlorophenyl)-5-[(E)-2-cyano-2-(phenylsulfonyl)ethenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-[(E)-2-(benzenesulfonyl)-2-cyano-vinyl]-1-(4-chlorophenyl)pyrazole-4-carboxylate CAS Name: 5-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]-1-(4-chlorophenyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]-1-(4-chlorophenyl)pyrazole-4-carboxylate Traditional Name: 5-[(E)-2-besyl-2-cyano-vinyl]-1-(4-chlorophenyl)pyrazole-4-carboxylic acid methyl ester Formula: C20H14ClN3O4S MolecularWeight: 427.86086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)C=C(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)/C=C(\C#N)/S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H14ClN3O4S/c1-28-20(25)18-13-23-24(15-9-7-14(21)8-10-15)19(18)11-17(12-22)29(26,27)16-5-3-2-4-6-16/h2-11,13H,1H3/b17-11+