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CHEBI:83668 - (S)-isoconazole

ChEBI IDCHEBI:83668
ChEBI Name(S)-isoconazole
Stars
ASCII Name(S)-isoconazole
DefinitionA 1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (S)-enantiomer of isoconazole.
Last Modified9 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC18H14Cl4N2O
Net Charge0
Average Mass416.135
Monoisotopic Mass413.98602
SMILESClc1ccc([C@@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2/t18-/m1/s1
InChIKeyMPIPASJGOJYODL-GOSISDBHSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-isoconazole (CHEBI:83668) is a 1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole (CHEBI:83667)
(S)-isoconazole (CHEBI:83668) is conjugate base of (S)-isoconazole(1+) (CHEBI:83673)
(S)-isoconazole (CHEBI:83668) is enantiomer of (R)-isoconazole (CHEBI:83666)
Incoming Relation(s)
isoconazole (CHEBI:82865) has part (S)-isoconazole (CHEBI:83668)
(S)-isoconazole(1+) (CHEBI:83673) is conjugate acid of (S)-isoconazole (CHEBI:83668)
(R)-isoconazole (CHEBI:83666) is enantiomer of (S)-isoconazole (CHEBI:83668)
IUPAC Name 
1-[(2S)-2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
Registry NumbersSources
Reaxys:20583119Reaxys