(2-iodanylphenyl)-[(5S)-3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

Systemtic Name: (2-iodanylphenyl)-[(5S)-3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: [(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-iodophenyl)methanone CAS Name: [(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-iodophenyl)methanone IUPAC Name: [(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-iodophenyl)methanone Traditional Name: [(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(2-iodophenyl)methanone Formula: C12H10F3IN2O2 MolecularWeight: 398.11968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CC=C2I

Isomeric SMILES

CC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=CC=CC=C2I

InChI

InChI=1S/C12H10F3IN2O2/c1-7-6-11(20,12(13,14)15)18(17-7)10(19)8-4-2-3-5-9(8)16/h2-5,20H,6H2,1H3/t11-/m0/s1