| PDB CCD ID: | A1L0R |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C24 H19 Br Cl F5 N6 O4 S |
| InChI: | InChI=1S/C24H19BrClF5N6O4S/c1-35-23(42)37(14-6-9(26)2-4-11(14)24(29,30)31)22(33-35)21-20(40)18(19(39)15(8-38)41-21)36-7-13(32-34-36)10-3-5-12(25)17(28)16(10)27/h2-7,15,18-21,38-40H,8H2,1H3/t15-,18+,19+,20-,21-/m1/s1 |
| InChIKey: | DTNXVYSHNSOFNS-YNUHATHGSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN1N=C([CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccc(Br)c(F)c4F)N(C1=S)c5cc(Cl)ccc5C(F)(F)F | | OpenEye OEToolkits 2.0.7 | CN1C(=S)N(C(=N1)C2C(C(C(C(O2)CO)O)n3cc(nn3)c4ccc(c(c4F)F)Br)O)c5cc(ccc5C(F)(F)F)Cl | | OpenEye OEToolkits 2.0.7 | CN1C(=S)N(C(=N1)[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(c(c4F)F)Br)O)c5cc(ccc5C(F)(F)F)Cl | | CACTVS 3.385 | CN1N=C([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n3cc(nn3)c4ccc(Br)c(F)c4F)N(C1=S)c5cc(Cl)ccc5C(F)(F)F |
|
| Name: | 5-[(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-bromanyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]-4-[5-chloranyl-2-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazole-3-thione |
| ChEMBL: | CHEMBL5591506 |
