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C53

Summary
Name:2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE
Formula:C9 H7 N3 O S
Formal charge:0
Formula weight:205.236 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2Z,5E)-2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
OpenEye OEToolkits1.5.0(5E)-2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C(/SC(=[N@H])N1)=C\c2ncccc2
SMILES_CANONICALCACTVS3.341N=C1NC(=O)C(\S1)=C/c2ccccn2
SMILESCACTVS3.341N=C1NC(=O)C(S1)=Cc2ccccn2
SMILES_CANONICALOpenEye OEToolkits1.5.0[H]/N=C\1/NC(=O)/C(=C\c2ccccn2)/S1
SMILESOpenEye OEToolkits1.5.0[H]N=C1NC(=O)C(=Cc2ccccn2)S1
InChIInChI1.03InChI=1S/C9H7N3OS/c10-9-12-8(13)7(14-9)5-6-3-1-2-4-11-6/h1-5H,(H2,10,12,13)/b7-5+
InChIKeyInChI1.03LHGOQMPIWSCKBA-FNORWQNLSA-N

217705

PDB entries from 2024-03-27

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