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RK0

Summary
Name:N-{5-[(3-cyano-4-methylphenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}acetamide
Formula:C14 H14 N4 O3 S2
Formal charge:0
Formula weight:350.416 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{5-[(3-cyano-4-methylphenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}acetamide
OpenEye OEToolkits2.0.7~{N}-[5-[(3-cyano-4-methyl-phenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1nc(NC(=O)C)sc1S(=O)(=O)Nc1cc(C#N)c(C)cc1
InChIInChI1.06InChI=1S/C14H14N4O3S2/c1-8-4-5-12(6-11(8)7-15)18-23(20,21)13-9(2)16-14(22-13)17-10(3)19/h4-6,18H,1-3H3,(H,16,17,19)
InChIKeyInChI1.06BORZWBYDXGSJEW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1sc(c(C)n1)[S](=O)(=O)Nc2ccc(C)c(c2)C#N
SMILESCACTVS3.385CC(=O)Nc1sc(c(C)n1)[S](=O)(=O)Nc2ccc(C)c(c2)C#N
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(cc1C#N)NS(=O)(=O)c2c(nc(s2)NC(=O)C)C
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1C#N)NS(=O)(=O)c2c(nc(s2)NC(=O)C)C

222415

数据于2024-07-10公开中

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