1-methyl-3-(5-methylsulfanyl-6-nitro-1-benzofuran-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione

Systemtic Name: 1-methyl-3-(5-methylsulfanyl-6-nitro-1-benzofuran-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione Openeye Name: 1-methyl-3-(5-methylsulfanyl-6-nitro-benzofuran-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione CAS Name: 1-methyl-3-[5-(methylthio)-6-nitro-3-benzofuranyl]-6-(trifluoromethyl)pyrimidine-2,4-dione IUPAC Name: 1-methyl-3-(5-methylsulfanyl-6-nitro-1-benzofuran-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione Traditional Name: 1-methyl-3-[5-(methylthio)-6-nitro-benzofuran-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-quinone Formula: C15H10F3N3O5S MolecularWeight: 401.31721

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C2=COC3=CC(=C(C=C32)SC)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C2=COC3=CC(=C(C=C32)SC)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H10F3N3O5S/c1-19-12(15(16,17)18)5-13(22)20(14(19)23)9-6-26-10-4-8(21(24)25)11(27-2)3-7(9)10/h3-6H,1-2H3