S-(4-methyl-6-phenyl-pyrimidin-2-yl) 2,2,2-tris(fluoranyl)ethanethioate

Systemtic Name: S-(4-methyl-6-phenyl-pyrimidin-2-yl) 2,2,2-tris(fluoranyl)ethanethioate Openeye Name: S-(4-methyl-6-phenyl-pyrimidin-2-yl) 2,2,2-trifluoroethanethioate CAS Name: 2,2,2-trifluoroethanethioic acid S-(4-methyl-6-phenyl-2-pyrimidinyl) ester IUPAC Name: S-(4-methyl-6-phenylpyrimidin-2-yl) 2,2,2-trifluoroethanethioate Traditional Name: 2,2,2-trifluoroethanethioic acid S-(4-methyl-6-phenyl-pyrimidin-2-yl) ester Formula: C13H9F3N2OS MolecularWeight: 298.28357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(=O)C(F)(F)F

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(=O)C(F)(F)F

InChI

InChI=1S/C13H9F3N2OS/c1-8-7-10(9-5-3-2-4-6-9)18-12(17-8)20-11(19)13(14,15)16/h2-7H,1H3