RKO

2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide

Created:	2022-11-30
Last modified:	2023-09-13

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1 entries where RKO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	16

2D diagram of RKO

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Chemical Component Summary
Name	2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide
Systematic Name (OpenEye OEToolkits)	2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide
Formula	C₁₄ H₁₁ Cl N₄ O S
Molecular Weight	318.781
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1ccc(NC(=O)CSc2[nH]c3ccccc3n2)nc1
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc2c(c1)[nH]c(n2)SCC(=O)Nc3ccc(cn3)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccc(NC(=O)CSc2[nH]c3ccccc3n2)nc1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc2c(c1)[nH]c(n2)SCC(=O)Nc3ccc(cn3)Cl
InChI	InChI	1.06	InChI=1S/C14H11ClN4OS/c15-9-5-6-12(16-7-9)19-13(20)8-21-14-17-10-3-1-2-4-11(10)18-14/h1-7H,8H2,(H,17,18)(H,16,19,20)
InChIKey	InChI	1.06	OOYJNUNOVRCHJZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	684872

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.