YIP
Summary
| Name: | 5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene |
| Formula: | C8 H6 Cl N4 O |
| Formal charge: | -1 |
| Formula weight: | 209.612 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H6ClN4O/c9-6-2-1-3-7(4-6)14-5-8-10-12-13-11-8/h1-4H,5H2/q-1 |
| InChIKey | InChI | 1.03 | YMQZGHUJRRCFAM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(OCc2n[n-]nn2)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(OCc2n[n-]nn2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)OCc2n[n-]nn2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)OCc2n[n-]nn2 |
