manganese(2+); N'-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]carbamimidothioate

Systemtic Name: manganese(2+); N'-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]carbamimidothioate Openeye Name: manganous N'-[(5-nitro-2-oxo-indol-3-yl)amino]carbamimidothioate CAS Name: manganese(2+); N'-[(5-nitro-2-oxo-3-indolyl)amino]carbamimidothioate IUPAC Name: manganese(2+); N'-[(5-nitro-2-oxoindol-3-yl)amino]carbamimidothioate Traditional Name: manganous N'-[(2-keto-5-nitro-indol-3-yl)amino]carbamimidothioate Formula: C18H12MnN10O6S2 MolecularWeight: 583.419329

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=O)C(=C2C=C1[N+](=O)[O-])NN=C(N)[S-].C1=CC2=NC(=O)C(=C2C=C1[N+](=O)[O-])NN=C(N)[S-].[Mn+2]

Isomeric SMILES

C1=CC2=NC(=O)C(=C2C=C1[N+](=O)[O-])N/N=C(/[S-])\N.C1=CC2=NC(=O)C(=C2C=C1[N+](=O)[O-])N/N=C(/[S-])\N.[Mn+2]

InChI

InChI=1S/2C9H7N5O3S.Mn/c2*10-9(18)13-12-7-5-3-4(14(16)17)1-2-6(5)11-8(7)15;/h2*1-3H,(H3,10,13,18)(H,11,12,15);/q;;+2/p-2