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

Systemtic Name: 1-(4-chlorophenyl)-5-[(3-iodanyl-5-nitro-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-chlorophenyl)-5-[(4-hydroxy-3-iodo-5-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-chlorophenyl)-5-[(4-hydroxy-3-iodo-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-chlorophenyl)-5-[(4-hydroxy-3-iodo-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-chlorophenyl)-5-(4-hydroxy-3-iodo-5-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H9ClIN3O5S MolecularWeight: 529.69293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=CC3=CC(=C(C(=C3)I)O)[N+](=O)[O-])C(=O)NC2=S)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(=CC3=CC(=C(C(=C3)I)O)[N+](=O)[O-])C(=O)NC2=S)Cl

InChI

InChI=1S/C17H9ClIN3O5S/c18-9-1-3-10(4-2-9)21-16(25)11(15(24)20-17(21)28)5-8-6-12(19)14(23)13(7-8)22(26)27/h1-7,23H,(H,20,24,28)