(5E)-1-(4-bromophenyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-(4-bromophenyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-(4-bromophenyl)-5-[(5-nitro-2-furyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(4-bromophenyl)-5-[(5-nitro-2-furanyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(4-bromophenyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-(4-bromophenyl)-5-[(5-nitro-2-furyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H8BrN3O5S MolecularWeight: 422.21012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)NC2=S)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/C(=O)NC2=S)Br

InChI

InChI=1S/C15H8BrN3O5S/c16-8-1-3-9(4-2-8)18-14(21)11(13(20)17-15(18)25)7-10-5-6-12(24-10)19(22)23/h1-7H,(H,17,20,25)/b11-7+