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CHEBI:145869 - (S)-fluoxapiprolin

ChEBI IDCHEBI:145869
ChEBI Name(S)-fluoxapiprolin
Stars
ASCII Name(S)-fluoxapiprolin
DefinitionA 2-[(ethanesulfonyl)amino]-5-fluoro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]benzene-1-carbothioamide that has (S)-configuration.
Last Modified23 January 2020
SubmitterAdnan
DownloadsMolfile
FormulaC25H24ClF4N5O5S2
Net Charge0
Average Mass650.076
Monoisotopic Mass649.08435
SMILES[H][C@@]1(c2c(Cl)cccc2OS(C)(=O)=O)CC(c2csc(C3CCN(C(=O)Cn4nc(C(F)F)cc4C(F)F)CC3)n2)=NO1
InChIInChI=1S/C25H24ClF4N5O5S2/c1-42(37,38)40-19-4-2-3-14(26)22(19)20-10-15(33-39-20)17-12-41-25(31-17)13-5-7-34(8-6-13)21(36)11-35-18(24(29)30)9-16(32-35)23(27)28/h2-4,9,12-13,20,23-24H,5-8,10-11H2,1H3/t20-/m0/s1
InChIKeyZEXXEODAXHSRDJ-FQEVSTJZSA-N
Roles Classification
Biological Role:
fungicide  A substance used to destroy fungal pests.
Application:
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
(S)-fluoxapiprolin (CHEBI:145869) has role fungicide (CHEBI:24127)
(S)-fluoxapiprolin (CHEBI:145869) is a 2-[(ethanesulfonyl)amino]-5-fluoro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]benzene-1-carbothioamide (CHEBI:145867)
(S)-fluoxapiprolin (CHEBI:145869) is enantiomer of (R)-fluoxapiprolin (CHEBI:145868)
Incoming Relation(s)
fluoxapiprolin (CHEBI:145866) has part (S)-fluoxapiprolin (CHEBI:145869)
(R)-fluoxapiprolin (CHEBI:145868) is enantiomer of (S)-fluoxapiprolin (CHEBI:145869)
IUPAC Name 
2-{(5S)-3-[2-(1-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazol-4-yl]-4,5-dihydro-1,2-oxazol-5-yl}-3-chlorophenyl methanesulfonate