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CHEBI:77898 - 1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole

Default Structure
ChEBI IDCHEBI:77898
ChEBI Name1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole
Stars
DefinitionA member of the class of imidazoles that comprises 2-(2,4-dichlorophenyl)ethylimidazole carrying an additional (2-chloro-3-thienyl)methoxy substituent at position 2.
Last Modified25 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC16H13Cl3N2OS
Net Charge0
Average Mass387.719
Monoisotopic Mass385.98142
SMILESClc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2
InChIKeyQXHHHPZILQDDPS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole (CHEBI:77898) is a dichlorobenzene (CHEBI:23697)
1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole (CHEBI:77898) is a ether (CHEBI:25698)
1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole (CHEBI:77898) is a imidazoles (CHEBI:24780)
1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole (CHEBI:77898) is a thiophenes (CHEBI:26961)
Incoming Relation(s)
(R)-tioconazole (CHEBI:77905) is a 1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole (CHEBI:77898)
(S)-tioconazole (CHEBI:77903) is a 1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole (CHEBI:77898)
IUPAC Name 
1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole
Manual XrefsDatabases
C08082KEGG COMPOUND
D00890KEGG DRUG
LSM-5028LINCS
Registry NumbersSources
CAS:65899-73-2KEGG COMPOUND