J5A
Summary
| Name: | N-[(4-bromothiophen-2-yl)methyl]acetamide |
| Formula: | C7 H8 Br N O S |
| Formal charge: | 0 |
| Formula weight: | 234.114 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(4-bromothiophen-2-yl)methyl]acetamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(4-bromanylthiophen-2-yl)methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=O)NCc1cc(cs1)Br |
| InChI | InChI | 1.03 | InChI=1S/C7H8BrNOS/c1-5(10)9-3-7-2-6(8)4-11-7/h2,4H,3H2,1H3,(H,9,10) |
| InChIKey | InChI | 1.03 | GPLBTWBXJXXSBT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCc1scc(Br)c1 |
| SMILES | CACTVS | 3.385 | CC(=O)NCc1scc(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)NCc1cc(cs1)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NCc1cc(cs1)Br |
