[azanyl(sulfaniumylidene)methyl]-(isoquinolin-1-ylmethylideneamino)azanide; iron(2+); oxidaniumylsulfonyloxidanium

Systemtic Name: [azanyl(sulfaniumylidene)methyl]-(isoquinolin-1-ylmethylideneamino)azanide; iron(2+); oxidaniumylsulfonyloxidanium Openeye Name: ferrous; [amino(sulfoniumylidene)methyl]-(1-isoquinolylmethyleneamino)azanide; oxoniosulfonyloxonium CAS Name: [amino(sulfoniumylidene)methyl]-(1-isoquinolinylmethylideneamino)azanide; iron(2+); oxoniosulfonyloxonium IUPAC Name: [amino(sulfoniumylidene)methyl]-(isoquinolin-1-ylmethylideneamino)azanide; iron(2+); oxoniosulfonyloxidanium Traditional Name: ferrous; [amino(sulfoniumylidene)methyl]-(1-isoquinolylmethyleneamino)azanide; oxoniosulfonyloxonium Formula: C11H14FeN4O4S2+4 MolecularWeight: 386.22826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2C=N[N-]C(=[SH+])N.[OH2+]S(=O)(=O)[OH2+].[Fe+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C=N[N-]C(=[SH+])N.[OH2+]S(=O)(=O)[OH2+].[Fe+2]

InChI

InChI=1S/C11H10N4S.Fe.H2O4S/c12-11(16)15-14-7-10-9-4-2-1-3-8(9)5-6-13-10;;1-5(2,3)4/h1-7H,(H3,12,13,15,16);;(H2,1,2,3,4)/q;+2;/p+2