EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:83752 - (2S,3R)-cyproconazole

ChEBI IDCHEBI:83752
ChEBI Name(2S,3R)-cyproconazole
Stars
ASCII Name(2S,3R)-cyproconazole
DefinitionThe (2S,3R)-stereoisomer of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol.
Last Modified14 November 2014
Submitternamrata
DownloadsMolfile
FormulaC15H18ClN3O
Net Charge0
Average Mass291.782
Monoisotopic Mass291.11384
SMILESC[C@H](C1CC1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3/t11-,15+/m1/s1
InChIKeyUFNOUKDBUJZYDE-ABAIWWIYSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-cyproconazole (CHEBI:83752) is a 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (CHEBI:83748)
(2S,3R)-cyproconazole (CHEBI:83752) is enantiomer of (2R,3S)-cyproconazole (CHEBI:83749)
Incoming Relation(s)
cyproconazole (CHEBI:81758) has part (2S,3R)-cyproconazole (CHEBI:83752)
(2R,3S)-cyproconazole (CHEBI:83749) is enantiomer of (2S,3R)-cyproconazole (CHEBI:83752)
IUPAC Name 
(2S,3R)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol