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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Br

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Br

InChI

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