| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1cc7c(cc1C(=O)N2)c3ccccn3[Ru]675(C#[O+])S4CCS6CCS5CC4 |
| InChI | InChI | 1.03 | InChI=1S/C13H7N2O2.C6H12S3.CO.Ru/c16-12-9-5-4-8(7-10(9)13(17)15-12)11-3-1-2-6-14-11;1-2-8-5-6-9-4-3-7-1;1-2;/h1-3,5-7H,(H,15,16,17);1-6H2;;/q;;+1; |
| InChIKey | InChI | 1.03 | WXCRGLMCKGBQGT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=O)c2cc(c([Ru]C#[O+])cc12)c3ccccn3.C4CSCCSCCS4 |
| SMILES | CACTVS | 3.385 | O=C1NC(=O)c2cc(c([Ru]C#[O+])cc12)c3ccccn3.C4CSCCSCCS4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)C#[O+])C=CC=C4)C(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)C#[O+])C=CC=C4)C(=O)NC2=O |
