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

Systemtic Name: 5-[[3-bromanyl-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-bromo-4-(4-nitrobenzyl)oxy-benzylidene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H16BrN3O5S MolecularWeight: 490.32714

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])Br)C(=O)N(C1=S)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])Br)C(=O)N(C1=S)C

InChI

InChI=1S/C20H16BrN3O5S/c1-22-18(25)15(19(26)23(2)20(22)30)9-13-5-8-17(16(21)10-13)29-11-12-3-6-14(7-4-12)24(27)28/h3-10H,11H2,1-2H3