A1JCJ
Summary
| Name: | ~{N}-(3-chlorophenyl)-2-sulfanyl-ethanamide |
| Formula: | C8 H8 Cl N O S |
| Formal charge: | 0 |
| Formula weight: | 201.673 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-chlorophenyl)-2-sulfanyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H8ClNOS/c9-6-2-1-3-7(4-6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11) |
| InChIKey | InChI | 1.06 | DJWPXOOPPHUNGN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SCC(=O)Nc1cccc(Cl)c1 |
| SMILES | CACTVS | 3.385 | SCC(=O)Nc1cccc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)NC(=O)CS |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)NC(=O)CS |
