[2-[1-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [2-[1-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-[1-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [2-[1-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C24H20FN3O3S MolecularWeight: 449.497303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C24H20FN3O3S/c1-16(17-9-11-18(25)12-10-17)26-23(29)15-31-24(30)21-14-20(22-8-5-13-32-22)27-28(21)19-6-3-2-4-7-19/h2-14,16H,15H2,1H3,(H,26,29)