NXN
Summary
| Name: | 2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE |
| Synonyms: | DICA |
| Formula: | C10 H11 Cl2 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 280.171 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(2,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide |
| OpenEye OEToolkits | 1.5.0 | 2-(2,4-dichlorophenoxy)-N-(2-sulfanylethyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1cc(Cl)ccc1OCC(=O)NCCS |
| SMILES_CANONICAL | CACTVS | 3.341 | SCCNC(=O)COc1ccc(Cl)cc1Cl |
| SMILES | CACTVS | 3.341 | SCCNC(=O)COc1ccc(Cl)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1Cl)Cl)OCC(=O)NCCS |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1Cl)Cl)OCC(=O)NCCS |
| InChI | InChI | 1.03 | InChI=1S/C10H11Cl2NO2S/c11-7-1-2-9(8(12)5-7)15-6-10(14)13-3-4-16/h1-2,5,16H,3-4,6H2,(H,13,14) |
| InChIKey | InChI | 1.03 | ZKLFUOFLXGWIIY-UHFFFAOYSA-N |
