1,2-bis(4-methylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1,2-bis(4-methylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1,2-bis(p-tolyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1,2-bis(4-methylphenyl)-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1,2-bis(4-methylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1,2-bis(p-tolyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]ethanone Formula: C21H17F3N2OS MolecularWeight: 402.43269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)SC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)SC3=NC=CC(=N3)C(F)(F)F

InChI

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