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

Systemtic Name: methyl 1-(4-chlorophenyl)-5-[(E)-2-cyano-2-propan-2-ylsulfonyl-ethenyl]pyrazole-4-carboxylate Openeye Name: methyl 1-(4-chlorophenyl)-5-[(E)-2-cyano-2-isopropylsulfonyl-vinyl]pyrazole-4-carboxylate CAS Name: 1-(4-chlorophenyl)-5-[(E)-2-cyano-2-propan-2-ylsulfonylethenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-chlorophenyl)-5-[(E)-2-cyano-2-propan-2-ylsulfonylethenyl]pyrazole-4-carboxylate Traditional Name: 1-(4-chlorophenyl)-5-[(E)-2-cyano-2-isopropylsulfonyl-vinyl]pyrazole-4-carboxylic acid methyl ester Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C(=CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)OC)C#N

Isomeric SMILES

CC(C)S(=O)(=O)/C(=C/C1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)OC)/C#N

InChI

InChI=1S/C17H16ClN3O4S/c1-11(2)26(23,24)14(9-19)8-16-15(17(22)25-3)10-20-21(16)13-6-4-12(18)5-7-13/h4-8,10-11H,1-3H3/b14-8+