EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:83921 - (S)-fenbuconazole

ChEBI IDCHEBI:83921
ChEBI Name(S)-fenbuconazole
Stars
ASCII Name(S)-fenbuconazole
Definition4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile that is the (S)-enantiomer of fenbuconazole.
Last Modified27 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC19H17ClN4
Net Charge0
Average Mass336.826
Monoisotopic Mass336.11417
SMILESN#C[C@](CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1
InChIInChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2/t19-/m1/s1
InChIKeyRQDJADAKIFFEKQ-LJQANCHMSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-fenbuconazole (CHEBI:83921) is a 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile (CHEBI:83920)
(S)-fenbuconazole (CHEBI:83921) is enantiomer of (R)-fenbuconazole (CHEBI:83922)
Incoming Relation(s)
fenbuconazole (CHEBI:81762) has part (S)-fenbuconazole (CHEBI:83921)
(R)-fenbuconazole (CHEBI:83922) is enantiomer of (S)-fenbuconazole (CHEBI:83921)
IUPAC Name 
(2S)-4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile