XTW
Summary
| Name: | 2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol |
| Formula: | C18 H16 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 341.792 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H16ClN3O2/c19-14-3-1-2-4-17(14)24-18-8-5-12(9-16(18)23)10-22-11-15(20-21-22)13-6-7-13/h1-5,8-9,11,13,23H,6-7,10H2 |
| InChIKey | InChI | 1.03 | IZROJXZTNQQASI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(Cn2cc(nn2)C3CC3)ccc1Oc4ccccc4Cl |
| SMILES | CACTVS | 3.385 | Oc1cc(Cn2cc(nn2)C3CC3)ccc1Oc4ccccc4Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4)Cl |
