A1CON
Summary
| Name: | 2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide |
| Formula: | C8 H7 F3 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 236.214 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide |
| OpenEye OEToolkits | 3.1.0.0 | 2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | FC(F)(F)c1cnc(SCC(N)=O)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C8H7F3N2OS/c9-8(10,11)5-1-2-7(13-3-5)15-4-6(12)14/h1-3H,4H2,(H2,12,14) |
| InChIKey | InChI | 1.06 | HJKVQHZKQXISQW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CSc1ccc(cn1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | NC(=O)CSc1ccc(cn1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ncc1C(F)(F)F)SCC(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ncc1C(F)(F)F)SCC(=O)N |
