YIH
Summary
| Name: | 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene |
| Formula: | C8 H5 Cl2 N4 O |
| Formal charge: | -1 |
| Formula weight: | 244.057 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H5Cl2N4O/c9-6-2-1-5(3-7(6)10)15-4-8-11-13-14-12-8/h1-3H,4H2/q-1 |
| InChIKey | InChI | 1.03 | XRNCVRGDXIBVNS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(OCc2n[n-]nn2)cc1Cl |
| SMILES | CACTVS | 3.385 | Clc1ccc(OCc2n[n-]nn2)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1OCc2n[n-]nn2)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1OCc2n[n-]nn2)Cl)Cl |
