A1IXK
Summary
| Name: | [3-(phenylmethyl)-1,3-benzothiazol-2-ylidene]ruthenium |
| Formula: | C14 H11 N Ru S |
| Formal charge: | 0 |
| Formula weight: | 326.379 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [3-(phenylmethyl)-1,3-benzothiazol-2-ylidene]ruthenium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H11NS.Ru/c1-2-6-12(7-3-1)10-15-11-16-14-9-5-4-8-13(14)15;/h1-9H,10H2; |
| InChIKey | InChI | 1.06 | XEBROALTMNVDDE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [Ru]=C1Sc2ccccc2N1Cc3ccccc3 |
| SMILES | CACTVS | 3.385 | [Ru]=C1Sc2ccccc2N1Cc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN2c3ccccc3SC2=[Ru] |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN2c3ccccc3SC2=[Ru] |
