(4S)-2-methyl-4-(pyridin-3-ylmethyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one

Systemtic Name: (4S)-2-methyl-4-(pyridin-3-ylmethyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Openeye Name: (4S)-2-methyl-4-(3-pyridylmethyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one CAS Name: (4S)-2-methyl-4-(3-pyridinylmethyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one IUPAC Name: (4S)-2-methyl-4-(pyridin-3-ylmethyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Traditional Name: (4S)-2-methyl-4-(3-pyridylmethyliminomethyl)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C12H11F3N4O MolecularWeight: 284.23715

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=N1)C(F)(F)F)C=NCC2=CN=CC=C2

Isomeric SMILES

CN1C(=O)[C@H](C(=N1)C(F)(F)F)C=NCC2=CN=CC=C2

InChI

InChI=1S/C12H11F3N4O/c1-19-11(20)9(10(18-19)12(13,14)15)7-17-6-8-3-2-4-16-5-8/h2-5,7,9H,6H2,1H3/t9-/m0/s1