5-[[5-(3,5-dinitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[5-(3,5-dinitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[5-(3,5-dinitrophenyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[5-(3,5-dinitrophenyl)-2-furanyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[5-(3,5-dinitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[5-(3,5-dinitrophenyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H8N4O7S MolecularWeight: 388.31162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H8N4O7S/c20-13-11(14(21)17-15(27)16-13)6-10-1-2-12(26-10)7-3-8(18(22)23)5-9(4-7)19(24)25/h1-6H,(H2,16,17,20,21,27)