3-(4-chloranyl-2-fluoranyl-5-isothiocyanato-cyclohexa-1,4-dien-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

Systemtic Name: 3-(4-chloranyl-2-fluoranyl-5-isothiocyanato-cyclohexa-1,4-dien-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione Openeye Name: 3-(4-chloro-2-fluoro-5-isothiocyanato-cyclohexa-1,4-dien-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione CAS Name: 3-(4-chloro-2-fluoro-5-isothiocyanato-1-cyclohexa-1,4-dienyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione IUPAC Name: 3-(4-chloro-2-fluoro-5-isothiocyanatocyclohexa-1,4-dien-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione Traditional Name: 3-(4-chloro-2-fluoro-5-isothiocyanato-cyclohexa-1,4-dien-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-quinone Formula: C13H8ClF4N3O2S MolecularWeight: 381.733133

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C2=C(CC(=C(C2)N=C=S)Cl)F)C(F)(F)F

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C2=C(CC(=C(C2)N=C=S)Cl)F)C(F)(F)F

InChI

InChI=1S/C13H8ClF4N3O2S/c1-20-10(13(16,17)18)4-11(22)21(12(20)23)9-3-8(19-5-24)6(14)2-7(9)15/h4H,2-3H2,1H3