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

Systemtic Name: N-(4-methylphenyl)-4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanamide Openeye Name: 4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(p-tolyl)butanamide CAS Name: N-(4-methylphenyl)-4-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]butanamide IUPAC Name: N-(4-methylphenyl)-4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanamide Traditional Name: 4-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-(p-tolyl)butyramide Formula: C22H20F3N3OS MolecularWeight: 431.47391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C22H20F3N3OS/c1-15-9-11-17(12-10-15)26-20(29)8-5-13-30-21-27-18(16-6-3-2-4-7-16)14-19(28-21)22(23,24)25/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,26,29)