(5E)-5-[[3,5-bis(iodanyl)-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-5-[[3,5-bis(iodanyl)-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[[3,5-diiodo-4-[(3-nitrophenyl)methoxy]phenyl]methylene]-1-(4-ethoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[[3,5-diiodo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[[3,5-diiodo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-[3,5-diiodo-4-(3-nitrobenzyl)oxy-benzylidene]-1-p-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C26H19I2N3O6S MolecularWeight: 755.3195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC4=CC(=CC=C4)[N+](=O)[O-])I)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C(=C3)I)OCC4=CC(=CC=C4)[N+](=O)[O-])I)/C(=O)NC2=S

InChI

InChI=1S/C26H19I2N3O6S/c1-2-36-19-8-6-17(7-9-19)30-25(33)20(24(32)29-26(30)38)11-16-12-21(27)23(22(28)13-16)37-14-15-4-3-5-18(10-15)31(34)35/h3-13H,2,14H2,1H3,(H,29,32,38)/b20-11+