[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C22H19ClFN3O4S MolecularWeight: 475.920363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC(=C(C=C2)SC)NC(=O)C)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC(=C(C=C2)SC)NC(=O)C)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H19ClFN3O4S/c1-12-20(21(23)27(26-12)16-7-5-15(24)6-8-16)22(30)31-11-18(29)14-4-9-19(32-3)17(10-14)25-13(2)28/h4-10H,11H2,1-3H3,(H,25,28)