(4S)-5-methyl-2-phenyl-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-4H-pyrazol-3-one

Systemtic Name: (4S)-5-methyl-2-phenyl-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-4H-pyrazol-3-one Openeye Name: (4S)-5-methyl-2-phenyl-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-4H-pyrazol-3-one CAS Name: (4S)-5-methyl-2-phenyl-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-4H-pyrazol-3-one IUPAC Name: (4S)-5-methyl-2-phenyl-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-4H-pyrazol-3-one Traditional Name: (4S)-5-methyl-2-phenyl-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-pyrazolin-3-one Formula: C18H14F3N3O MolecularWeight: 345.31847

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C=NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C18H14F3N3O/c1-12-16(17(25)24(23-12)15-8-3-2-4-9-15)11-22-14-7-5-6-13(10-14)18(19,20)21/h2-11,16H,1H3/t16-/m0/s1