O4E
Summary
| Name: | 3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
| Formula: | C10 H12 Br N O S |
| Formal charge: | 0 |
| Formula weight: | 274.177 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H12BrNOS/c1-12(5-6-14)10(13)8-3-2-4-9(11)7-8/h2-4,7,14H,5-6H2,1H3 |
| InChIKey | InChI | 1.03 | FMAHQXRMOYCSAU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCS)C(=O)c1cccc(Br)c1 |
| SMILES | CACTVS | 3.385 | CN(CCS)C(=O)c1cccc(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCS)C(=O)c1cccc(c1)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCS)C(=O)c1cccc(c1)Br |
