ethyl 2-[3-(4-methylphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[3-(4-methylphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[5-hydroxy-3-(p-tolyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]thiazole-4-carboxylate CAS Name: 2-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[5-hydroxy-3-(p-tolyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]thiazole-4-carboxylic acid ethyl ester Formula: C17H16F3N3O3S MolecularWeight: 399.38745

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)N2C(CC(=N2)C3=CC=C(C=C3)C)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)N2C(CC(=N2)C3=CC=C(C=C3)C)(C(F)(F)F)O

InChI

InChI=1S/C17H16F3N3O3S/c1-3-26-14(24)13-9-27-15(21-13)23-16(25,17(18,19)20)8-12(22-23)11-6-4-10(2)5-7-11/h4-7,9,25H,3,8H2,1-2H3