J4Q
Summary
| Name: | 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole |
| Formula: | C8 H9 N3 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 243.306 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H9N3O2S2/c1-15(12,13)8-9-2-3-11(8)4-7-5-14-6-10-7/h2-3,5-6H,4H2,1H3 |
| InChIKey | InChI | 1.03 | DWPGGNJRLYKHCD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1nccn1Cc2cscn2 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1nccn1Cc2cscn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)c1nccn1Cc2cscn2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)c1nccn1Cc2cscn2 |
