3-[(5S)-3-(2-methylpropyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[(5S)-3-(2-methylpropyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[(5S)-5-hydroxy-3-isobutyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxo-propanenitrile CAS Name: 3-[(5S)-5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxopropanenitrile IUPAC Name: 3-[(5S)-5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxopropanenitrile Traditional Name: 3-[(5S)-5-hydroxy-3-isobutyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-3-keto-propionitrile Formula: C11H14F3N3O2 MolecularWeight: 277.24297

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC#N

Isomeric SMILES

CC(C)CC1=NN([C@](C1)(C(F)(F)F)O)C(=O)CC#N

InChI

InChI=1S/C11H14F3N3O2/c1-7(2)5-8-6-10(19,11(12,13)14)17(16-8)9(18)3-4-15/h7,19H,3,5-6H2,1-2H3/t10-/m0/s1