YIE
Summary
| Name: | 5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene |
| Formula: | C8 H6 Cl N4 |
| Formal charge: | -1 |
| Formula weight: | 193.613 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H6ClN4/c9-7-3-1-6(2-4-7)5-8-10-12-13-11-8/h1-4H,5H2/q-1 |
| InChIKey | InChI | 1.03 | OWOYHKRGEMFARF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(Cc2[n-]nnn2)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(Cc2[n-]nnn2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1Cc2[n-]nnn2)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1Cc2[n-]nnn2)Cl |
