[azanyl(sulfanyl)methylidene]-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]azanium

Systemtic Name: [azanyl(sulfanyl)methylidene]-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]azanium Openeye Name: [amino(sulfanyl)methylene]-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]ammonium CAS Name: [amino(mercapto)methylidene]-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]ammonium IUPAC Name: [amino(sulfanyl)methylidene]-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]azanium Traditional Name: [amino(mercapto)methylene]-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]ammonium Formula: C8H9N4O3S+ MolecularWeight: 241.24706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=CN[NH+]=C(N)S)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=O)C(=CC1=CN[NH+]=C(N)S)[N+](=O)[O-]

InChI

InChI=1S/C8H8N4O3S/c9-8(16)11-10-4-5-1-2-7(13)6(3-5)12(14)15/h1-4,10H,(H3,9,11,16)/p+1