T5Q
Summary
| Name: | 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
| Formula: | C12 H15 F2 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 275.315 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H15F2NO2S/c1-12(2,11(16)15-3-4-18)17-10-6-8(13)5-9(14)7-10/h5-7,18H,3-4H2,1-2H3,(H,15,16) |
| InChIKey | InChI | 1.03 | HNNHYHUTCFDRHL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(Oc1cc(F)cc(F)c1)C(=O)NCCS |
| SMILES | CACTVS | 3.385 | CC(C)(Oc1cc(F)cc(F)c1)C(=O)NCCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)NCCS)Oc1cc(cc(c1)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)NCCS)Oc1cc(cc(c1)F)F |
