A1IBX
Summary
| Name: | 6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carbothioamide |
| Formula: | C8 H7 F3 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 236.214 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carbothioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H7F3N2OS/c9-8(10,11)4-14-6-2-1-5(3-13-6)7(12)15/h1-3H,4H2,(H2,12,15) |
| InChIKey | InChI | 1.06 | BZHZAGDMGSMJNO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=S)c1ccc(OCC(F)(F)F)nc1 |
| SMILES | CACTVS | 3.385 | NC(=S)c1ccc(OCC(F)(F)F)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ncc1C(=S)N)OCC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ncc1C(=S)N)OCC(F)(F)F |
