ethyl 1-phenyl-4-thiophen-2-ylcarbonyl-5-(trifluoromethyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-phenyl-4-thiophen-2-ylcarbonyl-5-(trifluoromethyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-phenyl-4-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyrazole-3-carboxylate CAS Name: 4-[oxo(thiophen-2-yl)methyl]-1-phenyl-5-(trifluoromethyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-4-(thiophene-2-carbonyl)-5-(trifluoromethyl)pyrazole-3-carboxylate Traditional Name: 1-phenyl-4-(2-thenoyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid ethyl ester Formula: C18H13F3N2O3S MolecularWeight: 394.36763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1C(=O)C2=CC=CS2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1C(=O)C2=CC=CS2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C18H13F3N2O3S/c1-2-26-17(25)14-13(15(24)12-9-6-10-27-12)16(18(19,20)21)23(22-14)11-7-4-3-5-8-11/h3-10H,2H2,1H3