YLO

1-[2-(4-METHYLPHENOXY)ETHYL]-2-(2-PHENOXYETHYLSULFANYL)BENZIMIDAZOLE

Created:	2011-06-04
Last modified:	2014-09-05

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1 entries where YLO is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	22

2D diagram of YLO

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Chemical Component Summary
Name	1-[2-(4-METHYLPHENOXY)ETHYL]-2-(2-PHENOXYETHYLSULFANYL)BENZIMIDAZOLE
Systematic Name (OpenEye OEToolkits)	1-[2-(4-methylphenoxy)ethyl]-2-(2-phenoxyethylsulfanyl)benzimidazole
Formula	C₂₄ H₂₄ N₂ O₂ S
Molecular Weight	404.525
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c1ccccc1n(c2SCCOc3ccccc3)CCOc4ccc(cc4)C
SMILES	CACTVS	3.385	Cc1ccc(OCCn2c(SCCOc3ccccc3)nc4ccccc24)cc1
SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCOc4ccccc4
Canonical SMILES	CACTVS	3.385	Cc1ccc(OCCn2c(SCCOc3ccccc3)nc4ccccc24)cc1
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCOc4ccccc4
InChI	InChI	1.03	InChI=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
InChIKey	InChI	1.03	PNCBJXVNIRRHJP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3114779
ChEMBL	CHEMBL1738936

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