IAO

5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine

Created:	2022-03-03
Last modified:	2023-01-25

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1 entries where IAO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	14

2D diagram of IAO

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Chemical Component Summary
Name	5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
Systematic Name (OpenEye OEToolkits)	5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
Formula	C₁₀ H₁₀ N₄ O₂ S
Molecular Weight	250.277
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(OC)c2n3c(N)nnc3sc12
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(c2c1n3c(nnc3s2)N)OC
Canonical SMILES	CACTVS	3.385	COc1ccc(OC)c2n3c(N)nnc3sc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(c2c1n3c(nnc3s2)N)OC
InChI	InChI	1.06	InChI=1S/C10H10N4O2S/c1-15-5-3-4-6(16-2)8-7(5)14-9(11)12-13-10(14)17-8/h3-4H,1-2H3,(H2,11,12)
InChIKey	InChI	1.06	FSNNMBVVDWKKCB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2771058

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