OBJ
Summary
| Name: | 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide |
| 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 | 12.01 | 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-[3,4-bis(chloranyl)phenoxy]-~{N}-(2-sulfanylethyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CNC(=O)COc1cc(c(cc1)Cl)Cl)S |
| InChI | InChI | 1.03 | InChI=1S/C10H11Cl2NO2S/c11-8-2-1-7(5-9(8)12)15-6-10(14)13-3-4-16/h1-2,5,16H,3-4,6H2,(H,13,14) |
| InChIKey | InChI | 1.03 | DCPNTZSINCTHRC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SCCNC(=O)COc1ccc(Cl)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | SCCNC(=O)COc1ccc(Cl)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1OCC(=O)NCCS)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1OCC(=O)NCCS)Cl)Cl |
