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CHEBI:84004 - (S)-triadimefon

ChEBI IDCHEBI:84004
ChEBI Name(S)-triadimefon
Stars
ASCII Name(S)-triadimefon
DefinitionA 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one that is the (S)-enantiomer of triadimefon.
Last Modified4 December 2014
SubmitterSteve
DownloadsMolfile
FormulaC14H16ClN3O2
Net Charge0
Average Mass293.754
Monoisotopic Mass293.09310
SMILESCC(C)(C)C(=O)[C@H](Oc1ccc(Cl)cc1)n1cncn1
InChIInChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3/t13-/m0/s1
InChIKeyWURBVZBTWMNKQT-ZDUSSCGKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(S)-triadimefon (CHEBI:84004) is a 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one (CHEBI:84002)
(S)-triadimefon (CHEBI:84004) is enantiomer of (R)-triadimefon (CHEBI:84003)
Incoming Relation(s)
triadimefon (CHEBI:9665) has part (S)-triadimefon (CHEBI:84004)
(R)-triadimefon (CHEBI:84003) is enantiomer of (S)-triadimefon (CHEBI:84004)
IUPAC Name 
(1S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
Registry NumbersSources
Reaxys:20863308Reaxys
CAS:89497-67-6ChemIDplus