5-[[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[5-(2-bromo-4-nitro-phenyl)-2-furyl]methylene]-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[5-(2-bromo-4-nitrophenyl)-2-furanyl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[5-(2-bromo-4-nitro-phenyl)-2-furyl]methylene]-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H14BrN3O6S MolecularWeight: 528.33206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)C(=O)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)C(=O)NC2=S

InChI

InChI=1S/C22H14BrN3O6S/c1-31-14-5-2-12(3-6-14)25-21(28)17(20(27)24-22(25)33)11-15-7-9-19(32-15)16-8-4-13(26(29)30)10-18(16)23/h2-11H,1H3,(H,24,27,33)