2-[(4-fluoranyl-1,3-benzothiazol-2-yl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one

Systemtic Name: 2-[(4-fluoranyl-1,3-benzothiazol-2-yl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)methylthio]-3-methyl-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)methylthio]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one Formula: C14H9F4N3OS2 MolecularWeight: 375.364373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1SCC2=NC3=C(C=CC=C3S2)F)C(F)(F)F

Isomeric SMILES

CN1C(=O)C=C(N=C1SCC2=NC3=C(C=CC=C3S2)F)C(F)(F)F

InChI

InChI=1S/C14H9F4N3OS2/c1-21-11(22)5-9(14(16,17)18)19-13(21)23-6-10-20-12-7(15)3-2-4-8(12)24-10/h2-5H,6H2,1H3