S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] 2,2,2-tris(fluoranyl)ethanethioate

Systemtic Name: S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] 2,2,2-tris(fluoranyl)ethanethioate Openeye Name: S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] 2,2,2-trifluoroethanethioate CAS Name: 2,2,2-trifluoroethanethioic acid S-[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl] ester IUPAC Name: S-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl] 2,2,2-trifluoroethanethioate Traditional Name: 2,2,2-trifluoroethanethioic acid S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] ester Formula: C14H11F3N2O2S MolecularWeight: 328.30955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11F3N2O2S/c1-8-7-11(9-3-5-10(21-2)6-4-9)19-13(18-8)22-12(20)14(15,16)17/h3-7H,1-2H3