1-[(5S)-5-tert-butyl-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-chloranyl-3-methyl-phenoxy)ethanone

Systemtic Name: 1-[(5S)-5-tert-butyl-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-chloranyl-3-methyl-phenoxy)ethanone Openeye Name: 1-[(5S)-5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-chloro-3-methyl-phenoxy)ethanone CAS Name: 1-[(5S)-5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-chloro-3-methylphenoxy)ethanone IUPAC Name: 1-[(5S)-5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-chloro-3-methylphenoxy)ethanone Traditional Name: 1-[(5S)-5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(4-chloro-3-methyl-phenoxy)ethanone Formula: C17H20ClF3N2O3 MolecularWeight: 392.80051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2C(CC(=N2)C(F)(F)F)(C(C)(C)C)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2[C@](CC(=N2)C(F)(F)F)(C(C)(C)C)O)Cl

InChI

InChI=1S/C17H20ClF3N2O3/c1-10-7-11(5-6-12(10)18)26-9-14(24)23-16(25,15(2,3)4)8-13(22-23)17(19,20)21/h5-7,25H,8-9H2,1-4H3/t16-/m0/s1