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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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count30
Aromatic Bond Count6
2D diagram of SWT

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Chemical Component Summary

Name6-(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
FormulaC12 H10 N4 O S
Molecular Weight258.299
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1)SC2=NN3C(=NNC3=O)C=C2
Canonical SMILESCACTVS3.385 Cc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccc(cc1)SC2=NN3C(=NNC3=O)C=C2
InChIInChI1.03 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)
InChIKeyInChI1.03 SVJSYMYGSKESLF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 50743655