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SWQ

Summary
Name:6-(3-methylsulfanylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Formula:C12 H10 N4 O S2
Formal charge:0
Formula weight:290.364 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-(3-methylsulfanylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H10N4OS2/c1-18-8-3-2-4-9(7-8)19-11-6-5-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17)
InChIKeyInChI1.03VATRPVZFYDKZHK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CSc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1
SMILESCACTVS3.385CSc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CSc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2
SMILESOpenEye OEToolkits2.0.7CSc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2

227111

PDB entries from 2024-11-06

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