4-nitro-2-[[(5-nitro-2-oxidanidyl-phenyl)methylidenecarbamothioylamino]carbamothioyliminomethyl]phenolate

Systemtic Name: 4-nitro-2-[[(5-nitro-2-oxidanidyl-phenyl)methylidenecarbamothioylamino]carbamothioyliminomethyl]phenolate Openeye Name: 4-nitro-2-[[(5-nitro-2-oxido-phenyl)methylenecarbamothioylamino]carbamothioyliminomethyl]phenolate CAS Name: 4-nitro-2-[[[[[(5-nitro-2-oxidophenyl)methylideneamino]-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]iminomethyl]phenolate IUPAC Name: 4-nitro-2-[[(5-nitro-2-oxidophenyl)methylidenecarbamothioylamino]carbamothioyliminomethyl]phenolate Traditional Name: 4-nitro-2-[[(5-nitro-2-oxido-benzylidene)thiocarbamoylamino]thiocarbamoyliminomethyl]phenolate Formula: C16H10N6O6S2-2 MolecularWeight: 446.4172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C=NC(=S)NNC(=S)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C=NC(=S)NNC(=S)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-]

InChI

InChI=1S/C16H12N6O6S2/c23-13-3-1-11(21(25)26)5-9(13)7-17-15(29)19-20-16(30)18-8-10-6-12(22(27)28)2-4-14(10)24/h1-8,23-24H,(H,19,29)(H,20,30)/p-2