CHEBI:145869 - (S)-fluoxapiprolin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-fluoxapiprolin
ChEBI ID CHEBI:145869
ChEBI ASCII Name (S)-fluoxapiprolin
Definition 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 that has (S)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C25H24ClF4N5O5S2
Net Charge 0
Average Mass 650.060
Monoisotopic Mass 649.08435
InChI InChI=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
InChIKey ZEXXEODAXHSRDJ-FQEVSTJZSA-N
SMILES C=1(C=C(N(N1)CC(=O)N2CCC(CC2)C3=NC(=CS3)C=4C[C@](ON4)(C=5C(=CC=CC5Cl)OS(C)(=O)=O)[H])C(F)F)C(F)F
Roles Classification
Biological Role(s): fungicide
A substance used to destroy fungal pests.
Application(s): fungicide
A substance used to destroy fungal pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 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
Last Modified
23 January 2020