3-[2,4-bis(fluoranyl)phenyl]-5-methyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-5-methyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 3-(2,4-difluorophenyl)-5-methyl-2-thioxo-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 3-(2,4-difluorophenyl)-5-methyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 3-(2,4-difluorophenyl)-5-methyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 3-(2,4-difluorophenyl)-5-methyl-2-thioxo-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C12H7F5N2OS MolecularWeight: 322.253796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=S)N(C1=O)C2=C(C=C(C=C2)F)F)C(F)(F)F

Isomeric SMILES

CC1=C(NC(=S)N(C1=O)C2=C(C=C(C=C2)F)F)C(F)(F)F

InChI

InChI=1S/C12H7F5N2OS/c1-5-9(12(15,16)17)18-11(21)19(10(5)20)8-3-2-6(13)4-7(8)14/h2-4H,1H3,(H,18,21)