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CHEBI:146242 - (S)-flufiprole

ChEBI IDCHEBI:146242
ChEBI Name(S)-flufiprole
Stars
ASCII Name(S)-flufiprole
DefinitionA 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(2-methylprop-2-en-1-yl)amino]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile that has S configuration at the sulfoxide.
Last Modified4 March 2020
SubmitterAdnan
DownloadsMolfile
FormulaC16H10Cl2F6N4OS
Net Charge0
Average Mass491.244
Monoisotopic Mass489.98566
SMILESC=C(C)CNc1c([S@+]([O-])C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H10Cl2F6N4OS/c1-7(2)6-26-14-13(30(29)16(22,23)24)11(5-25)27-28(14)12-9(17)3-8(4-10(12)18)15(19,20)21/h3-4,26H,1,6H2,2H3/t30-/m0/s1
InChIKeyHVQHXBNMBZJPLK-PMERELPUSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-flufiprole (CHEBI:146242) is a 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(2-methylprop-2-en-1-yl)amino]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile (CHEBI:146249)
(S)-flufiprole (CHEBI:146242) is enantiomer of (R)-flufiprole (CHEBI:146241)
Incoming Relation(s)
flufiprole (CHEBI:146240) has part (S)-flufiprole (CHEBI:146242)
(R)-flufiprole (CHEBI:146241) is enantiomer of (S)-flufiprole (CHEBI:146242)
IUPAC Name 
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(2-methylprop-2-en-1-yl)amino]-4-[(S)-(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile
Synonyms  Source
S-(−)-flufiproleChEBI
(−)-flufiproleChEBI
Citations