XT5
Summary
| Name: | 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol |
| Formula: | C19 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 321.373 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H19N3O2/c1-13-4-2-3-5-18(13)24-19-9-6-14(10-17(19)23)11-22-12-16(20-21-22)15-7-8-15/h2-6,9-10,12,15,23H,7-8,11H2,1H3 |
| InChIKey | InChI | 1.03 | VWPWFFSOJLWTDA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1Oc2ccc(Cn3cc(nn3)C4CC4)cc2O |
| SMILES | CACTVS | 3.385 | Cc1ccccc1Oc2ccc(Cn3cc(nn3)C4CC4)cc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)C4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)C4CC4 |
