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EIH

Summary
Name:2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
Formula:C17 H15 N5 S
Formal charge:0
Formula weight:321.4 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C17H15N5S/c1-21-11-14(13-7-3-2-4-8-13)18-16(21)12-23-17-19-15-9-5-6-10-22(15)20-17/h2-11H,12H2,1H3
InChIKeyInChI1.06TTYKNXUXXPKQBV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1cc(nc1CSc2nn3ccccc3n2)c4ccccc4
SMILESCACTVS3.385Cn1cc(nc1CSc2nn3ccccc3n2)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cn1cc(nc1CSc2nc3ccccn3n2)c4ccccc4
SMILESOpenEye OEToolkits2.0.7Cn1cc(nc1CSc2nc3ccccn3n2)c4ccccc4

222415

PDB entries from 2024-07-10

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