3-(3-ethenyl-1,2-benzothiazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione; tungsten

Systemtic Name: 3-(3-ethenyl-1,2-benzothiazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione; tungsten Openeye Name: 1-methyl-6-(trifluoromethyl)-3-(3-vinyl-1,2-benzothiazol-5-yl)pyrimidine-2,4-dione; tungsten CAS Name: 3-(3-ethenyl-1,2-benzothiazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione; tungsten IUPAC Name: 3-(3-ethenyl-1,2-benzothiazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione; tungsten Traditional Name: 1-methyl-6-(trifluoromethyl)-3-(3-vinyl-1,2-benzothiazol-5-yl)pyrimidine-2,4-quinone; tungsten Formula: C15H9F3N3O2SW21- MolecularWeight: 4212.95107

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C2=CC3=C(C=C2)SN=C3C=[CH-])C(F)(F)F.[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C2=CC3=C(C=C2)SN=C3C=[CH-])C(F)(F)F.[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]

InChI

InChI=1S/C15H9F3N3O2S.21W/c1-3-10-9-6-8(4-5-11(9)24-19-10)21-13(22)7-12(15(16,17)18)20(2)14(21)23;;;;;;;;;;;;;;;;;;;;;/h1,3-7H,2H3;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;