CXH
Summary
| Name: | ~{N}-(3,4-dichlorophenyl)-2-sulfanyl-ethanamide |
| Formula: | C8 H7 Cl2 N O S |
| Formal charge: | 0 |
| Formula weight: | 236.118 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(3,4-dichlorophenyl)-2-sulfanyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H7Cl2NOS/c9-6-2-1-5(3-7(6)10)11-8(12)4-13/h1-3,13H,4H2,(H,11,12) |
| InChIKey | InChI | 1.03 | OXXGBQLQQBKIJO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SCC(=O)Nc1ccc(Cl)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | SCC(=O)Nc1ccc(Cl)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1NC(=O)CS)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1NC(=O)CS)Cl)Cl |
