1-(4-bromophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-bromophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-bromophenyl)-5-[[4-[(5-nitro-2-pyridyl)oxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-bromophenyl)-5-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-bromophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-bromophenyl)-5-[4-[(5-nitro-2-pyridyl)oxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H13BrN4O5S MolecularWeight: 525.33142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br)OC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br)OC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H13BrN4O5S/c23-14-3-5-15(6-4-14)26-21(29)18(20(28)25-22(26)33)11-13-1-8-17(9-2-13)32-19-10-7-16(12-24-19)27(30)31/h1-12H,(H,25,28,33)