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

Systemtic Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxo-ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C25H20FN3O3S MolecularWeight: 461.508003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=C(C=C2)F)OC(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=C(C=C2)F)OC(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C25H20FN3O3S/c26-17-10-8-16(9-11-17)23(24(30)27-18-12-13-18)32-25(31)21-15-20(22-7-4-14-33-22)28-29(21)19-5-2-1-3-6-19/h1-11,14-15,18,23H,12-13H2,(H,27,30)