795
Summary
| Name: | 2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde |
| Formula: | C9 H6 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 190.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde |
| OpenEye OEToolkits | 1.7.0 | 2-pyridin-3-yl-1,3-thiazole-4-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=Cc1nc(sc1)c2cnccc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | O=Cc1csc(n1)c2cccnc2 |
| SMILES | CACTVS | 3.370 | O=Cc1csc(n1)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cnc1)c2nc(cs2)C=O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cnc1)c2nc(cs2)C=O |
| InChI | InChI | 1.03 | InChI=1S/C9H6N2OS/c12-5-8-6-13-9(11-8)7-2-1-3-10-4-7/h1-6H |
| InChIKey | InChI | 1.03 | UTFHURULTRKXDB-UHFFFAOYSA-N |
