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YLO

Summary
Name:1-[2-(4-METHYLPHENOXY)ETHYL]-2-(2-PHENOXYETHYLSULFANYL)BENZIMIDAZOLE
Formula:C24 H24 N2 O2 S
Formal charge:0
Formula weight:404.525 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[2-(4-methylphenoxy)ethyl]-2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazole
OpenEye OEToolkits1.9.21-[2-(4-methylphenoxy)ethyl]-2-(2-phenoxyethylsulfanyl)benzimidazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2c1ccccc1n(c2SCCOc3ccccc3)CCOc4ccc(cc4)C
InChIInChI1.03InChI=1S/C24H24N2O2S/c1-19-11-13-21(14-12-19)27-16-15-26-23-10-6-5-9-22(23)25-24(26)29-18-17-28-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3
InChIKeyInChI1.03PNCBJXVNIRRHJP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(OCCn2c(SCCOc3ccccc3)nc4ccccc24)cc1
SMILESCACTVS3.385Cc1ccc(OCCn2c(SCCOc3ccccc3)nc4ccccc24)cc1
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCOc4ccccc4
SMILESOpenEye OEToolkits1.9.2Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCOc4ccccc4

218853

PDB entries from 2024-04-24

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