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CI7

Summary
Name:3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide
Formula:C19 H17 Br Cl N3 O3 S
Formal charge:0
Formula weight:482.779 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide
OpenEye OEToolkits2.0.73-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]-~{N}-methylsulfonyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CS(=O)(=O)NC(=O)CCc1cn(nc1c1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI1.03InChI=1S/C19H17BrClN3O3S/c1-28(26,27)23-18(25)11-4-14-12-24(17-9-5-15(20)6-10-17)22-19(14)13-2-7-16(21)8-3-13/h2-3,5-10,12H,4,11H2,1H3,(H,23,25)
InChIKeyInChI1.03HJRIVXBUFBERIX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)NC(=O)CCc1cn(nc1c2ccc(Cl)cc2)c3ccc(Br)cc3
SMILESCACTVS3.385C[S](=O)(=O)NC(=O)CCc1cn(nc1c2ccc(Cl)cc2)c3ccc(Br)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CS(=O)(=O)NC(=O)CCc1cn(nc1c2ccc(cc2)Cl)c3ccc(cc3)Br
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)NC(=O)CCc1cn(nc1c2ccc(cc2)Cl)c3ccc(cc3)Br

223532

數據於2024-08-07公開中

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