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O9Y

Summary
Name:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide
Formula:C16 H14 F N5 O3 S
Formal charge:0
Formula weight:375.377 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide
OpenEye OEToolkits2.0.72-fluoranyl-3-methyl-~{N}'-(phenylsulfonyl)-5-(1,2,3-triazol-2-yl)benzohydrazide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3(S(NNC(c1c(c(C)cc(c1)n2nccn2)F)=O)(=O)=O)ccccc3
InChIInChI1.03InChI=1S/C16H14FN5O3S/c1-11-9-12(22-18-7-8-19-22)10-14(15(11)17)16(23)20-21-26(24,25)13-5-3-2-4-6-13/h2-10,21H,1H3,(H,20,23)
InChIKeyInChI1.03VOTAKFAKQLJZRE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)n3nccn3
SMILESCACTVS3.385Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)n3nccn3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3nccn3
SMILESOpenEye OEToolkits2.0.7Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3nccn3

220113

PDB entries from 2024-05-22

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