9NB
Summary
| Name: | ~{N}-(4-ethanoylphenyl)-2-sulfanyl-ethanamide |
| Formula: | C10 H11 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 209.265 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(4-ethanoylphenyl)-2-sulfanyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO2S/c1-7(12)8-2-4-9(5-3-8)11-10(13)6-14/h2-5,14H,6H2,1H3,(H,11,13) |
| InChIKey | InChI | 1.03 | WBJOQROPHCHERE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1ccc(NC(=O)CS)cc1 |
| SMILES | CACTVS | 3.385 | CC(=O)c1ccc(NC(=O)CS)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)c1ccc(cc1)NC(=O)CS |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)c1ccc(cc1)NC(=O)CS |
