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

Systemtic Name: 5-[[3-bromanyl-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-bromo-4-(4-nitrobenzyl)oxy-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H12BrN3O5S MolecularWeight: 462.27398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H12BrN3O5S/c19-14-8-11(7-13-16(23)20-18(28)21-17(13)24)3-6-15(14)27-9-10-1-4-12(5-2-10)22(25)26/h1-8H,9H2,(H2,20,21,23,24,28)