PXK
Summary
| Name: | 6-(4,4-dimethylpent-2-ynyl)-4~{H}-pyrrolo[2,3-d][1,3]thiazole |
| Formula: | C12 H14 N2 S |
| Formal charge: | 0 |
| Formula weight: | 218.318 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-(4,4-dimethylpent-2-ynyl)-4~{H}-pyrrolo[2,3-d][1,3]thiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2S/c1-12(2,3)6-4-5-9-7-13-11-10(9)15-8-14-11/h7-8,13H,5H2,1-3H3 |
| InChIKey | InChI | 1.03 | JBYBLGDRQOCKRZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C#CCc1c[nH]c2ncsc12 |
| SMILES | CACTVS | 3.385 | CC(C)(C)C#CCc1c[nH]c2ncsc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C#CCc1c[nH]c2c1scn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C#CCc1c[nH]c2c1scn2 |
