4-cyano-2-fluoranyl-N-[(E)-[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methylideneamino]benzamide

Systemtic Name: 4-cyano-2-fluoranyl-N-[(E)-[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methylideneamino]benzamide Openeye Name: 4-cyano-2-fluoro-N-[(E)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyleneamino]benzamide CAS Name: 4-cyano-2-fluoro-N-[(E)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylideneamino]benzamide IUPAC Name: 4-cyano-2-fluoro-N-[(E)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylideneamino]benzamide Traditional Name: 4-cyano-2-fluoro-N-[(E)-[(4S)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]methyleneamino]benzamide Formula: C19H14FN5O2 MolecularWeight: 363.345163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=NNC(=O)C2=C(C=C(C=C2)C#N)F)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)[C@H]1/C=N/NC(=O)C2=C(C=C(C=C2)C#N)F)C3=CC=CC=C3

InChI

InChI=1S/C19H14FN5O2/c1-12-16(19(27)25(24-12)14-5-3-2-4-6-14)11-22-23-18(26)15-8-7-13(10-21)9-17(15)20/h2-9,11,16H,1H3,(H,23,26)/b22-11+/t16-/m0/s1