Mrv0541 03191411562D          

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M  END
> <ID>
CHEBI:77776

> <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.

> <STAR>
3

> <IUPAC_NAME>
1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole

> <FORMULA>
C18H15Cl3N2S

> <MASS>
397.74900

> <MONOISOTOPIC_MASS>
396.00215

> <CHARGE>
0

> <SMILES>
Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1

> <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

> <CAS_REGISTRY_NUMBER>
61318-90-9

> <KEGG_COMPOUND_ACCESSION>
C08076

> <KEGG_DRUG_ACCESSION>
D08535

> <LINCS_ACCESSION>
LSM-1751

$$$$