A6E
Summary
| Name: | 3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one |
| Formula: | C13 H16 F N O2 S |
| Formal charge: | 0 |
| Formula weight: | 269.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H16FNO2S/c14-11-1-3-12(4-2-11)17-8-5-13(16)15-6-9-18-10-7-15/h1-4H,5-10H2 |
| InChIKey | InChI | 1.03 | WKRDDFLIYSQAFI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(OCCC(=O)N2CCSCC2)cc1 |
| SMILES | CACTVS | 3.385 | Fc1ccc(OCCC(=O)N2CCSCC2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1OCCC(=O)N2CCSCC2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1OCCC(=O)N2CCSCC2)F |
