SWT

6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one

Created:	2020-12-02
Last modified:	2022-01-12

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1 entries where SWT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

2D diagram of SWT

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Chemical Component Summary
Name	6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Systematic Name (OpenEye OEToolkits)	6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Formula	C₁₂ H₁₀ N₄ O S
Molecular Weight	258.299
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)SC2=NN3C(=NNC3=O)C=C2
Canonical SMILES	CACTVS	3.385	Cc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)SC2=NN3C(=NNC3=O)C=C2
InChI	InChI	1.03	InChI=1S/C12H10N4OS/c1-8-2-4-9(5-3-8)18-11-7-6-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17)
InChIKey	InChI	1.03	SVJSYMYGSKESLF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	50743655

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