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WHO

Summary
Name:3-(ethylsulfanylmethyl)-~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Formula:C14 H13 F3 N6 O2 S
Formal charge:0
Formula weight:386.352 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-(ethylsulfanylmethyl)-~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C14H13F3N6O2S/c1-3-26-6-10-20-21-11-8(4-5-9(23(10)11)14(15,16)17)12(24)18-13-22-19-7(2)25-13/h4-5H,3,6H2,1-2H3,(H,18,22,24)
InChIKeyInChI1.06HCPJQSRDQCYJQJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCSCc1nnc2n1c(ccc2C(=O)Nc3oc(C)nn3)C(F)(F)F
SMILESCACTVS3.385CCSCc1nnc2n1c(ccc2C(=O)Nc3oc(C)nn3)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7CCSCc1nnc2n1c(ccc2C(=O)Nc3nnc(o3)C)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7CCSCc1nnc2n1c(ccc2C(=O)Nc3nnc(o3)C)C(F)(F)F

225399

数据于2024-09-25公开中

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