A1JIH
Summary
| Name: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-methoxyethylsulfanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol |
| Formula: | C17 H20 F3 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 435.418 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-methoxyethylsulfanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H20F3N3O5S/c1-27-2-3-29-17-16(26)14(15(25)12(7-24)28-17)23-6-11(21-22-23)8-4-9(18)13(20)10(19)5-8/h4-6,12,14-17,24-26H,2-3,7H2,1H3/t12-,14+,15+,16-,17+/m1/s1 |
| InChIKey | InChI | 1.06 | XJAVCYZXCVBPID-GWFJUFKTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n2cc(nn2)c3cc(F)c(F)c(F)c3 |
| SMILES | CACTVS | 3.385 | COCCS[CH]1O[CH](CO)[CH](O)[CH]([CH]1O)n2cc(nn2)c3cc(F)c(F)c(F)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)n2cc(nn2)c3cc(c(c(c3)F)F)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCCSC1C(C(C(C(O1)CO)O)n2cc(nn2)c3cc(c(c(c3)F)F)F)O |
