SUQ

6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one

Created:	2020-12-01
Last modified:	2021-12-08

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1 entries where SUQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	6

2D diagram of SUQ

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Chemical Component Summary
Name	6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Synonyms	6-(4-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Systematic Name (OpenEye OEToolkits)	6-(4-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Formula	C₁₁ H₇ Cl N₄ O S
Molecular Weight	278.717
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1SC2=NN3C(=NNC3=O)C=C2)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1SC2=NN3C(=NNC3=O)C=C2)Cl
InChI	InChI	1.03	InChI=1S/C11H7ClN4OS/c12-7-1-3-8(4-2-7)18-10-6-5-9-13-14-11(17)16(9)15-10/h1-6H,(H,14,17)
InChIKey	InChI	1.03	YMDYCZLBRZYSTF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	162368326

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