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

Systemtic Name: ethyl 1-(4-fluorophenyl)-5-[3-(2-thiophen-2-ylethanoylamino)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-5-[3-[[2-(2-thienyl)acetyl]amino]phenyl]pyrazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-[3-[(1-oxo-2-thiophen-2-ylethyl)amino]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-5-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-[3-[[2-(2-thienyl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C24H20FN3O3S MolecularWeight: 449.497303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC(=CC=C2)NC(=O)CC3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC(=CC=C2)NC(=O)CC3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H20FN3O3S/c1-2-31-24(30)21-15-22(28(27-21)19-10-8-17(25)9-11-19)16-5-3-6-18(13-16)26-23(29)14-20-7-4-12-32-20/h3-13,15H,2,14H2,1H3,(H,26,29)