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

Systemtic Name: (5E)-5-[[5-(2-methoxy-5-nitro-phenyl)furan-2-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[[5-(2-methoxy-5-nitro-phenyl)-2-furyl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[[5-(2-methoxy-5-nitrophenyl)-2-furanyl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-[[5-(2-methoxy-5-nitro-phenyl)-2-furyl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)[N+](=O)[O-])OC)C(=O)NC1=S

Isomeric SMILES

CN1C(=O)/C(=C/C2=CC=C(O2)C3=C(C=CC(=C3)[N+](=O)[O-])OC)/C(=O)NC1=S

InChI

InChI=1S/C17H13N3O6S/c1-19-16(22)12(15(21)18-17(19)27)8-10-4-6-14(26-10)11-7-9(20(23)24)3-5-13(11)25-2/h3-8H,1-2H3,(H,18,21,27)/b12-8+