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CHEBI:83135 - (S)-penflufen

ChEBI IDCHEBI:83135
ChEBI Name(S)-penflufen
Stars
ASCII Name(S)-penflufen
Definition5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide that is the (S)-enantiomer of penflufen.
Last Modified24 September 2014
SubmitterSteve
DownloadsMolfile
FormulaC18H24FN3O
Net Charge0
Average Mass317.408
Monoisotopic Mass317.19034
SMILESCc1nn(C)c(F)c1C(=O)Nc1ccccc1[C@@H](C)CC(C)C
InChIInChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)/t12-/m0/s1
InChIKeyGOFJDXZZHFNFLV-LBPRGKRZSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-penflufen (CHEBI:83135) is a 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide (CHEBI:83134)
(S)-penflufen (CHEBI:83135) is enantiomer of (R)-penflufen (CHEBI:83136)
Incoming Relation(s)
penflufen (CHEBI:83133) has part (S)-penflufen (CHEBI:83135)
(R)-penflufen (CHEBI:83136) is enantiomer of (S)-penflufen (CHEBI:83135)
IUPAC Name 
5-fluoro-1,3-dimethyl-N-{2-[(2S)-4-methylpentan-2-yl]phenyl}-1H-pyrazole-4-carboxamide
Registry NumbersSources
Reaxys:12363234Reaxys