| PDB CCD ID: | 402 |
| Number of entries in BioLiP: | 41 |
| Chemical formula: | C7 H5 Fe2 N3 O3 S2 |
| InChI: | InChI=1S/C2H5NS2.2CN.3CO.2Fe/c4-1-3-2-5;5*1-2;;/h3H,1-2H2;;;;;;;/q;;;;2*+1;; |
| InChIKey: | LJPDYWPSPOWMIB-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C2[Fe]1(C#N)(C#[O+])S3CNCS1[Fe]23(C#[O+])C#N | | CACTVS 3.385 | O=C1[Fe](SCNCS[Fe]1(C#N)C#[O+])(C#N)C#[O+] | | OpenEye OEToolkits 1.9.2 | C1NC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+] |
|
| Name: | dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethanethiolatato-1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+) |
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