N-[(4-methylphenyl)methyl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(p-tolylmethyl)propanamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(4-methylbenzyl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C22H20F3N3OS MolecularWeight: 431.47391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C22H20F3N3OS/c1-14-8-10-16(11-9-14)13-26-20(29)15(2)30-21-27-18(17-6-4-3-5-7-17)12-19(28-21)22(23,24)25/h3-12,15H,13H2,1-2H3,(H,26,29)