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JQU

Summary
Name:N-[3-methyl-1-(pyridin-2-yl)-1H-thieno[2,3-c]pyrazol-5-yl]benzamide
Formula:C18 H14 N4 O S
Formal charge:0
Formula weight:334.395 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[3-methyl-1-(pyridin-2-yl)-1H-thieno[2,3-c]pyrazol-5-yl]benzamide
OpenEye OEToolkits2.0.7~{N}-(3-methyl-1-pyridin-2-yl-thieno[2,3-c]pyrazol-5-yl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1cc2c(C)nn(c3ccccn3)c2s1)c1ccccc1
InChIInChI1.03InChI=1S/C18H14N4OS/c1-12-14-11-16(20-17(23)13-7-3-2-4-8-13)24-18(14)22(21-12)15-9-5-6-10-19-15/h2-11H,1H3,(H,20,23)
InChIKeyInChI1.03SDTFXLSMMOZWHK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1nn(c2sc(NC(=O)c3ccccc3)cc12)c4ccccn4
SMILESCACTVS3.385Cc1nn(c2sc(NC(=O)c3ccccc3)cc12)c4ccccn4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c2cc(sc2n(n1)c3ccccn3)NC(=O)c4ccccc4
SMILESOpenEye OEToolkits2.0.7Cc1c2cc(sc2n(n1)c3ccccn3)NC(=O)c4ccccc4

222415

数据于2024-07-10公开中

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