5-[(3-iodanyl-4-methoxy-5-nitro-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3-iodanyl-4-methoxy-5-nitro-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-iodo-4-methoxy-5-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-iodo-4-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-iodo-4-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-iodo-4-methoxy-5-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H8IN3O5S MolecularWeight: 433.17849

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1I)C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1I)C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C12H8IN3O5S/c1-21-9-7(13)3-5(4-8(9)16(19)20)2-6-10(17)14-12(22)15-11(6)18/h2-4H,1H3,(H2,14,15,17,18,22)