J64
Summary
| Name: | N-[(5-chlorothiophen-2-yl)methyl]acetamide |
| Formula: | C7 H8 Cl N O S |
| Formal charge: | 0 |
| Formula weight: | 189.663 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(5-chlorothiophen-2-yl)methyl]acetamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(5-chloranylthiophen-2-yl)methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(Cc1ccc(Cl)s1)C(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H8ClNOS/c1-5(10)9-4-6-2-3-7(8)11-6/h2-3H,4H2,1H3,(H,9,10) |
| InChIKey | InChI | 1.03 | SYBYQBLOZYRNQY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCc1sc(Cl)cc1 |
| SMILES | CACTVS | 3.385 | CC(=O)NCc1sc(Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)NCc1ccc(s1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NCc1ccc(s1)Cl |
