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

Systemtic Name: 1-(4-fluorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-fluorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-fluorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-fluorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-fluorophenyl)-5-(2-methoxy-5-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H12FN3O5S MolecularWeight: 401.368383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H12FN3O5S/c1-27-15-7-6-13(22(25)26)8-10(15)9-14-16(23)20-18(28)21(17(14)24)12-4-2-11(19)3-5-12/h2-9H,1H3,(H,20,23,28)