Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | 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 | InChI | 1.03 | VVXMKEXCTCBOII-UHFFFAOYSA-L |
SMILES_CANONICAL | CACTVS | 3.385 | S.O=C1[Fe](C#N)(C#[O+])[S-]2CNCS[Fe]12(C#N)C#[O+] |
SMILES | CACTVS | 3.385 | S.O=C1[Fe](C#N)(C#[O+])[S-]2CNCS[Fe]12(C#N)C#[O+] |
SMILES_CANONICAL | 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+] |
SMILES | 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+] |