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3X2

Summary
Name:2-[(E)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid
Formula:C17 H12 Cl N3 O2 S
Formal charge:0
Formula weight:357.814 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(E)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid
OpenEye OEToolkits1.7.62-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c3c(/C=N/Nc1nc(cs1)c2ccccc2Cl)cccc3
InChIInChI1.03InChI=1S/C17H12ClN3O2S/c18-14-8-4-3-7-13(14)15-10-24-17(20-15)21-19-9-11-5-1-2-6-12(11)16(22)23/h1-10H,(H,20,21)(H,22,23)/b19-9+
InChIKeyInChI1.03DDEIFUOYHWEWSS-DJKKODMXSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccccc1/C=N/Nc2scc(n2)c3ccccc3Cl
SMILESCACTVS3.385OC(=O)c1ccccc1C=NNc2scc(n2)c3ccccc3Cl
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(c(c1)/C=N/Nc2nc(cs2)c3ccccc3Cl)C(=O)O
SMILESOpenEye OEToolkits1.7.6c1ccc(c(c1)C=NNc2nc(cs2)c3ccccc3Cl)C(=O)O

223532

PDB entries from 2024-08-07

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