QFX
Summary
| Name: | (4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine |
| Formula: | C17 H11 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 322.748 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine |
| OpenEye OEToolkits | 2.0.7 | 3-chloranyl-6-(2-phenylphenoxy)-[1,2,4]triazolo[4,3-b]pyridazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1nnc2ccc(nn12)Oc1ccccc1c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C17H11ClN4O/c18-17-20-19-15-10-11-16(21-22(15)17)23-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H |
| InChIKey | InChI | 1.03 | XWHTYUYQMHCFMT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1nnc2ccc(Oc3ccccc3c4ccccc4)nn12 |
| SMILES | CACTVS | 3.385 | Clc1nnc2ccc(Oc3ccccc3c4ccccc4)nn12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccccc2Oc3ccc4nnc(n4n3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccccc2Oc3ccc4nnc(n4n3)Cl |
