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

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ChEBI Name 1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole
ChEBI ID CHEBI:77776
ChEBI ASCII Name 1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H15Cl3N2S
Net Charge 0
Average Mass 397.74900
Monoisotopic Mass 396.002
InChI InChI=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
InChIKey AFNXATANNDIXLG-UHFFFAOYSA-N
SMILES Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
ChEBI Ontology
Outgoing 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 (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 Xrefs Databases
C08076 KEGG COMPOUND
D08535 KEGG DRUG
LSM-1751 LINCS
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Registry Number Type Source
61318-90-9 CAS Registry Number KEGG COMPOUND
Last Modified
24 February 2016
General Comment
2014-03-19 This is the entry for the entity with unspecified stereochemistry. There are separate entries for the individual enantiomers, (R)-sulconazole and (S)-sulconazole, and for the racemate, sulconazole.