iron(4+); (2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-phenyl-azanide; diisothiocyanate

Systemtic Name: iron(4+); (2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-phenyl-azanide; diisothiocyanate Openeye Name: iron(4+); (2-oxo-1,3-benzoxazol-3-yl)methyl-phenyl-azanide; diisothiocyanate CAS Name: iron(4+); (2-oxo-1,3-benzoxazol-3-yl)methyl-phenylazanide; diisothiocyanate IUPAC Name: iron(4+); (2-oxo-1,3-benzoxazol-3-yl)methyl-phenylazanide; diisothiocyanate Traditional Name: iron(4+); (2-keto-1,3-benzoxazol-3-yl)methyl-phenyl-azanide; diisothiocyanate Formula: C30H22FeN6O4S2 MolecularWeight: 650.50848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N-]CN2C3=CC=CC=C3OC2=O.C1=CC=C(C=C1)[N-]CN2C3=CC=CC=C3OC2=O.C(=[N-])=S.C(=[N-])=S.[Fe+4]

Isomeric SMILES

C1=CC=C(C=C1)[N-]CN2C3=CC=CC=C3OC2=O.C1=CC=C(C=C1)[N-]CN2C3=CC=CC=C3OC2=O.C(=[N-])=S.C(=[N-])=S.[Fe+4]

InChI

InChI=1S/2C14H11N2O2.2CNS.Fe/c2*17-14-16(10-15-11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-14;2*2-1-3;/h2*1-9H,10H2;;;/q4*-1;+4