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CHEBI:77776 - 1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole

Default Structure
ChEBI IDCHEBI:77776
ChEBI Name1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole
Stars
ASCII Name1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole
DefinitionA member of the class of imidazoles that is 1-ethyl-1H-imidazole in which one of the hydrogens of the methyl group is replaced by a (4-chlorobenzyl)sulfanediyl group while a second is replaced by a 2,4-dichlorophenyl group.
Last Modified24 February 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H15Cl3N2S
Net Charge0
Average Mass397.758
Monoisotopic Mass396.00215
SMILESClc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
InChIKeyAFNXATANNDIXLG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole (CHEBI:77776) is a dichlorobenzene (CHEBI:23697)
1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole (CHEBI:77776) is a imidazoles (CHEBI:24780)
1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole (CHEBI:77776) is a monochlorobenzenes (CHEBI:83403)
1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole (CHEBI:77776) is a organic sulfide (CHEBI:16385)
Incoming Relation(s)
(R)-sulconazole (CHEBI:77777) is a 1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole (CHEBI:77776)
(S)-sulconazole (CHEBI:77778) is a 1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole (CHEBI:77776)
IUPAC Name 
1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole
Manual XrefsDatabases
C08076KEGG COMPOUND
D08535KEGG DRUG
LSM-1751LINCS
Registry NumbersSources
CAS:61318-90-9KEGG COMPOUND