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
Program | Version | Name |
ACDLabs | 10.04 | (2Z,5E)-2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one |
OpenEye OEToolkits | 1.5.0 | (5E)-2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1C(/SC(=[N@H])N1)=C\c2ncccc2 |
SMILES_CANONICAL | CACTVS | 3.341 | N=C1NC(=O)C(\S1)=C/c2ccccn2 |
SMILES | CACTVS | 3.341 | N=C1NC(=O)C(S1)=Cc2ccccn2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C\1/NC(=O)/C(=C\c2ccccn2)/S1 |
SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C1NC(=O)C(=Cc2ccccn2)S1 |
InChI | InChI | 1.03 | InChI=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+ |
InChIKey | InChI | 1.03 | LHGOQMPIWSCKBA-FNORWQNLSA-N |