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

Systemtic Name: 3-(3-bromanyl-1,2-benzothiazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione Openeye Name: 3-(3-bromo-1,2-benzothiazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione CAS Name: 3-(3-bromo-1,2-benzothiazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione IUPAC Name: 3-(3-bromo-1,2-benzothiazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione Traditional Name: 3-(3-bromo-1,2-benzothiazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-quinone Formula: C13H7BrF3N3O2S MolecularWeight: 406.17779

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C2=CC3=C(C=C2)SN=C3Br)C(F)(F)F

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C2=CC3=C(C=C2)SN=C3Br)C(F)(F)F

InChI

InChI=1S/C13H7BrF3N3O2S/c1-19-9(13(15,16)17)5-10(21)20(12(19)22)6-2-3-8-7(4-6)11(14)18-23-8/h2-5H,1H3