N8N

(2S)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one

Created:	2015-01-29
Last modified:	2015-10-07

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1 entries where N8N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	12

2D diagram of N8N

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Chemical Component Summary
Name	(2S)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one
Systematic Name (OpenEye OEToolkits)	(2S)-3-(3-chlorophenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
Formula	C₁₄ H₁₁ Cl N₂ O S
Molecular Weight	290.768
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2N(c1cc(Cl)ccc1)C(SC2)c3ncccc3
SMILES	CACTVS	3.385	Clc1cccc(c1)N2[CH](SCC2=O)c3ccccn3
SMILES	OpenEye OEToolkits	1.7.6	c1ccnc(c1)C2N(C(=O)CS2)c3cccc(c3)Cl
Canonical SMILES	CACTVS	3.385	Clc1cccc(c1)N2[C@@H](SCC2=O)c3ccccn3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccnc(c1)[C@H]2N(C(=O)CS2)c3cccc(c3)Cl
InChI	InChI	1.03	InChI=1S/C14H11ClN2OS/c15-10-4-3-5-11(8-10)17-13(18)9-19-14(17)12-6-1-2-7-16-12/h1-8,14H,9H2/t14-/m0/s1
InChIKey	InChI	1.03	XBARGMZJUZLYLI-AWEZNQCLSA-N

Related Resource References

Resource Name	Reference
PubChem	92142298

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