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

Systemtic Name: 5-[[3-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-bromo-5-methoxy-4-(4-nitrobenzyl)oxy-benzylidene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H18BrN3O6S MolecularWeight: 568.39592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)Br)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)Br)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H18BrN3O6S/c1-34-21-13-16(12-20(26)22(21)35-14-15-7-9-18(10-8-15)29(32)33)11-19-23(30)27-25(36)28(24(19)31)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,27,30,36)