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J6X

Summary
Name:2-(4-methyl-1,3-thiazol-2-yl)-1-benzothiophen-3-ol
Formula:C12 H9 N O S2
Formal charge:0
Formula weight:247.336 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-(4-methyl-1,3-thiazol-2-yl)-1-benzothiophen-3-ol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C12H9NOS2/c1-7-6-15-12(13-7)11-10(14)8-4-2-3-5-9(8)16-11/h2-6,14H,1H3
InChIKeyInChI1.06CKTCKDPHWPJIPT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1csc(n1)c2sc3ccccc3c2O
SMILESCACTVS3.385Cc1csc(n1)c2sc3ccccc3c2O
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1csc(n1)c2c(c3ccccc3s2)O
SMILESOpenEye OEToolkits2.0.7Cc1csc(n1)c2c(c3ccccc3s2)O

222415

数据于2024-07-10公开中

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