| PDB CCD ID: | 4WX |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C7 H4 Fe2 N2 O3 S3 |
| InChI: | InChI=1S/C2H4S3.2CN.3CO.2Fe/c3-1-5-2-4;5*1-2;;/h1-2H2;;;;;;;/q;;;;2*+1;; |
| InChIKey: | MPZVJBTYPOXJKR-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=C1[Fe]|2(S|3CSCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+] | | OpenEye OEToolkits 1.7.6 | C1SC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] |
|
| Name: | bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)-mu-(sulfanediyldimethanethiolatato-1kappaS:2kappaS)diiron(2+);
sulfuro-dimethyl-dithiolato-bridged [2Fe2S] cluster |
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