VHR

Summary

Name:	Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, cyanide cluster (-CN form)
Formula:	C8 H5 Fe2 N4 O3 S2
Formal charge:	-1
Formula weight:	380.97 Da
Component type:	non-polymer
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C2H5NS2.3CN.3CO.2Fe/c4-1-3-2-5;61-2;;/h3H,1-2H2;;;;;;;;/q;3-1;;;;2*+1
InChIKey	InChI	1.06	HYISCADUGULYSY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C1[Fe+]SCNCS[Fe+]1.[C-]#N.[C-]#N.[C-]#N.[C-]#[O+].[C-]#[O+]
SMILES	CACTVS	3.385	O=C1[Fe+]SCNCS[Fe+]1.[C-]#N.[C-]#N.[C-]#N.[C-]#[O+].[C-]#[O+]
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C1NC[S]2[Fe+]3([S]1[Fe+]2(C3=O)([C-]#N)([C-]#N)[C-]#[O+])([C-]#N)[C-]#[O+]
SMILES	OpenEye OEToolkits	2.0.7	C1NC[S]2[Fe+]3([S]1[Fe+]2(C3=O)([C-]#N)([C-]#N)[C-]#[O+])([C-]#N)[C-]#[O+]