3-oxidanylidene-3-[(5S)-5-oxidanyl-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-oxidanylidene-3-[(5S)-5-oxidanyl-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]propanenitrile Openeye Name: 3-[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxo-propanenitrile CAS Name: 3-[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxopropanenitrile IUPAC Name: 3-[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxopropanenitrile Traditional Name: 3-[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-3-keto-propionitrile Formula: C13H10F3N3O2 MolecularWeight: 297.23261

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)(F)F)O)C(=O)CC#N)C2=CC=CC=C2

Isomeric SMILES

C1C(=NN([C@]1(C(F)(F)F)O)C(=O)CC#N)C2=CC=CC=C2

InChI

InChI=1S/C13H10F3N3O2/c14-13(15,16)12(21)8-10(9-4-2-1-3-5-9)18-19(12)11(20)6-7-17/h1-5,21H,6,8H2/t12-/m0/s1