| PDB CCD ID: | 4WV |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C7 H4 Fe2 N2 O4 S2 |
| InChI: | InChI=1S/C2H4OS2.2CN.3CO.2Fe/c4-1-3-2-5;5*1-2;;/h1-2H2;;;;;;;/q;;;;2*+1;; |
| InChIKey: | TZKTVWBTVZTYNZ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C1OC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] | | CACTVS 3.385 | O=C1[Fe]|2(S|3COCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+] |
|
| Name: | bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)-mu-(oxydimethanethiolate-1kappaS:2kappaS)diiron(2+);
oxodithiolato-bridged [2Fe2S] cluster |
umich.edu