1-[4-methyl-6-(phenylmethylsulfanyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-methyl-6-(phenylmethylsulfanyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone Openeye Name: 1-[4-benzylsulfanyl-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone CAS Name: 1-[4-methyl-6-(phenylmethylthio)-2-[4-(trifluoromethyl)phenyl]-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-benzylsulfanyl-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(benzylthio)-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone Formula: C21H17F3N2OS MolecularWeight: 402.43269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)C(F)(F)F)SCC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)C(F)(F)F)SCC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H17F3N2OS/c1-13-18(14(2)27)20(28-12-15-6-4-3-5-7-15)26-19(25-13)16-8-10-17(11-9-16)21(22,23)24/h3-11H,12H2,1-2H3