| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1NC=C2c3c1ccc1cccn(c13)[Ru]13452(C#[O+])[CH]2=[CH]1[CH]3=[CH]4C25 |
| InChI | InChI | 1.06 | InChI=1S/C12H7N2O.C5H5.CO.Ru/c15-12-10-4-3-8-2-1-6-13-11(8)9(10)5-7-14-12;1-2-4-5-3-1;1-2;/h1-4,6-7H,(H,14,15);1-5H;;/q;;+1; |
| InChIKey | InChI | 1.06 | TYJLKFDQQSLXQM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC=C([Ru](C#[O+])C2C=CC=C2)c3c1ccc4cccnc34 |
| SMILES | CACTVS | 3.385 | O=C1NC=C([Ru](C#[O+])C2C=CC=C2)c3c1ccc4cccnc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c3c4c1C=CC=[N]4[Ru]5678(C3=CNC2=O)([CH]9=[CH]5C6[CH]7=[CH]89)C#[O+] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c3c4c1C=CC=[N]4[Ru]5678(C3=CNC2=O)([CH]9=[CH]5C6[CH]7=[CH]89)C#[O+] |
