A1LYJ

(5E)-2-azanylidene-5-[(2,3-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

Created:	2024-02-20
Last modified:	2024-12-04

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1 entries where A1LYJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	6

2D diagram of A1LYJ

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Chemical Component Summary
Name	(5E)-2-azanylidene-5-[(2,3-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
Systematic Name (OpenEye OEToolkits)	(5~{E})-2-azanylidene-5-[(2,3-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
Formula	C₁₂ H₁₂ N₂ O₃ S
Molecular Weight	264.3
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cccc(C=C2SC(=N)NC2=O)c1OC
SMILES	OpenEye OEToolkits	2.0.7	COc1cccc(c1OC)C=C2C(=O)NC(=N)S2
Canonical SMILES	CACTVS	3.385	COc1cccc(/C=C2/SC(=N)NC2=O)c1OC
Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C\1/NC(=O)/C(=C\c2cccc(c2OC)OC)/S1
InChI	InChI	1.06	InChI=1S/C12H12N2O3S/c1-16-8-5-3-4-7(10(8)17-2)6-9-11(15)14-12(13)18-9/h3-6H,1-2H3,(H2,13,14,15)/b9-6+
InChIKey	InChI	1.06	GUZXOEURHZVATE-RMKNXTFCSA-N

Related Resource References

Resource Name	Reference
PubChem	1366824

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