ethyl 3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)thiophene-2-carboxylate Openeye Name: ethyl 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)thiophene-2-carboxylate CAS Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)thiophene-2-carboxylate Traditional Name: 3-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-5-(trifluoromethyl)thiophene-2-carboxylic acid ethyl ester Formula: C18H15F3N2O3S MolecularWeight: 396.38351

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C(F)(F)F)C2=C(NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C(F)(F)F)C2=C(NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H15F3N2O3S/c1-3-26-17(25)15-12(9-13(27-15)18(19,20)21)14-10(2)22-23(16(14)24)11-7-5-4-6-8-11/h4-9,22H,3H2,1-2H3