A1COW
Summary
| Name: | (4-chlorophenyl)[2-(methylsulfanyl)-1H-imidazol-1-yl]methanone |
| Formula: | C11 H9 Cl N2 O S |
| Formal charge: | 0 |
| Formula weight: | 252.72 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (4-chlorophenyl)[2-(methylsulfanyl)-1H-imidazol-1-yl]methanone |
| OpenEye OEToolkits | 3.1.0.0 | (4-chlorophenyl)-(2-methylsulfanylimidazol-1-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CSc1nccn1C(=O)c1ccc(Cl)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H9ClN2OS/c1-16-11-13-6-7-14(11)10(15)8-2-4-9(12)5-3-8/h2-7H,1H3 |
| InChIKey | InChI | 1.06 | OOKURBRPSVOQMT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1nccn1C(=O)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | CSc1nccn1C(=O)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CSc1nccn1C(=O)c2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CSc1nccn1C(=O)c2ccc(cc2)Cl |
