PDB CCD ID: | LFH |
Number of entries in BioLiP: | 1 |
Chemical formula: | C7 H5 Fe2 N3 O3 S3 |
InChI: | InChI=1S/C2H6NS2.2CN.3CO.2Fe.H2S/c4-1-3-2-5;5*1-2;;;/h3-4H,1-2H2;;;;;;;;1H2/q;;;;2*+1;;+1;/p-2 |
InChIKey: | VVXMKEXCTCBOII-UHFFFAOYSA-L |
SMILES: | Software | SMILES |
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CACTVS 3.385 | S.O=C1[Fe](C#N)(C#[O+])[S-]2CNCS[Fe]12(C#N)C#[O+] | OpenEye OEToolkits 2.0.7 | C1NC[S]2[Fe]3([S-]1[Fe]2(C3=O)(C#N)(C#[O+])[S])(C#N)C#[O+] |
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Name: | dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethanethiolatato-1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+) sulphide |