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IAJ

Summary
Name:8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Formula:C9 H7 N3 O S
Formal charge:0
Formula weight:205.236 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.78-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C9H7N3OS/c1-13-6-3-2-4-7-8(6)12-5-10-11-9(12)14-7/h2-5H,1H3
InChIKeyInChI1.06GAZBYHNTJJLBRO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc2sc3nncn3c12
SMILESCACTVS3.385COc1cccc2sc3nncn3c12
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cccc2c1n3cnnc3s2
SMILESOpenEye OEToolkits2.0.7COc1cccc2c1n3cnnc3s2

222415

PDB entries from 2024-07-10

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