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

Systemtic Name: ethyl 2-[3-(4-bromophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]thiazole-4-carboxylate CAS Name: 2-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]thiazole-4-carboxylic acid ethyl ester Formula: C16H13BrF3N3O3S MolecularWeight: 464.25693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrF3N3O3S/c1-2-26-13(24)12-8-27-14(21-12)23-15(25,16(18,19)20)7-11(22-23)9-3-5-10(17)6-4-9/h3-6,8,25H,2,7H2,1H3