6DL
Summary
| Name: | 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one |
| Formula: | C14 H9 Br F N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 366.142 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 3-[5-bromanyl-2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{H}-1,2,4-triazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H9BrFN3O3/c15-8-5-7(11(20)6-12(8)21)13-17-18-14(22)19(13)10-4-2-1-3-9(10)16/h1-6,20-21H,(H,18,22) |
| InChIKey | InChI | 1.03 | WTHWBOWCSOCLLT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(O)c(cc1Br)C2=NNC(=O)N2c3ccccc3F |
| SMILES | CACTVS | 3.385 | Oc1cc(O)c(cc1Br)C2=NNC(=O)N2c3ccccc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc(c(c1)N2C(=NNC2=O)c3cc(c(cc3O)O)Br)F |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc(c(c1)N2C(=NNC2=O)c3cc(c(cc3O)O)Br)F |
