XTV
Summary
| Name: | 2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile |
| Formula: | C19 H16 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 332.356 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H16N4O2/c20-10-15-3-1-2-4-18(15)25-19-8-5-13(9-17(19)24)11-23-12-16(21-22-23)14-6-7-14/h1-5,8-9,12,14,24H,6-7,11H2 |
| InChIKey | InChI | 1.03 | LHTWMYAWMSNPIN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(Cn2cc(nn2)C3CC3)ccc1Oc4ccccc4C#N |
| SMILES | CACTVS | 3.385 | Oc1cc(Cn2cc(nn2)C3CC3)ccc1Oc4ccccc4C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4 |
