KY6

4-[(Z)-1-cyano-2-{6-[(2-hydroxyethyl)(methyl)amino]-1-benzothiophen-2-yl}ethenyl]benzonitrile

Created:	2022-02-21
Last modified:	2022-08-31

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3 entries where KY6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	16

2D diagram of KY6

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Chemical Component Summary
Name	4-[(Z)-1-cyano-2-{6-[(2-hydroxyethyl)(methyl)amino]-1-benzothiophen-2-yl}ethenyl]benzonitrile
Systematic Name (OpenEye OEToolkits)	4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]-1-benzothiophen-2-yl]ethenyl]benzenecarbonitrile
Formula	C₂₁ H₁₇ N₃ O S
Molecular Weight	359.444
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OCCN(C)c1ccc2cc(\C=C(/C#N)c3ccc(C#N)cc3)sc2c1
SMILES	CACTVS	3.385	CN(CCO)c1ccc2cc(sc2c1)C=C(C#N)c3ccc(cc3)C#N
SMILES	OpenEye OEToolkits	2.0.7	CN(CCO)c1ccc2cc(sc2c1)C=C(C#N)c3ccc(cc3)C#N
Canonical SMILES	CACTVS	3.385	CN(CCO)c1ccc2cc(sc2c1)\C=C(/C#N)c3ccc(cc3)C#N
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(CCO)c1ccc2cc(sc2c1)/C=C(\C#N)/c3ccc(cc3)C#N
InChI	InChI	1.03	InChI=1S/C21H17N3OS/c1-24(8-9-25)19-7-6-17-10-20(26-21(17)12-19)11-18(14-23)16-4-2-15(13-22)3-5-16/h2-7,10-12,25H,8-9H2,1H3/b18-11+
InChIKey	InChI	1.03	WXTHEUULEXARCU-WOJGMQOQSA-N

Related Resource References

Resource Name	Reference
PubChem	146047142

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