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

Systemtic Name: (5E)-5-[[5-(2-methoxy-4-nitro-phenyl)furan-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-allyl-5-[[5-(2-methoxy-4-nitro-phenyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[[5-(2-methoxy-4-nitrophenyl)-2-furanyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-allyl-5-[[5-(2-methoxy-4-nitro-phenyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H15N3O6S MolecularWeight: 413.4039

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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)CC=C

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C/3\C(=O)NC(=S)N(C3=O)CC=C

InChI

InChI=1S/C19H15N3O6S/c1-3-8-21-18(24)14(17(23)20-19(21)29)10-12-5-7-15(28-12)13-6-4-11(22(25)26)9-16(13)27-2/h3-7,9-10H,1,8H2,2H3,(H,20,23,29)/b14-10+