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

Systemtic Name: 3-[(5S)-3-(4-chlorophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[(5S)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxo-propanenitrile CAS Name: 3-[(5S)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxopropanenitrile IUPAC Name: 3-[(5S)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxopropanenitrile Traditional Name: 3-[(5S)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-3-keto-propionitrile Formula: C13H9ClF3N3O2 MolecularWeight: 331.67767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClF3N3O2/c14-9-3-1-8(2-4-9)10-7-12(22,13(15,16)17)20(19-10)11(21)5-6-18/h1-4,22H,5,7H2/t12-/m0/s1