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Q2N

Summary
Name:2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide
Formula:C16 H12 F N3 O S
Formal charge:0
Formula weight:313.349 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H12FN3OS/c17-12-6-4-11(5-7-12)9-15(21)20-16-19-14(10-22-16)13-3-1-2-8-18-13/h1-8,10H,9H2,(H,19,20,21)
InChIKeyInChI1.03MILLBOMBXCCZHF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(CC(=O)Nc2scc(n2)c3ccccn3)cc1
SMILESCACTVS3.385Fc1ccc(CC(=O)Nc2scc(n2)c3ccccn3)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccnc(c1)c2csc(n2)NC(=O)Cc3ccc(cc3)F
SMILESOpenEye OEToolkits2.0.6c1ccnc(c1)c2csc(n2)NC(=O)Cc3ccc(cc3)F

224004

건을2024-08-21부터공개중

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