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

Systemtic Name: N-(4-methylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(p-tolyl)propanamide CAS Name: N-(4-methylphenyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(4-methylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: 2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-(p-tolyl)propionamide Formula: C21H18F3N3OS MolecularWeight: 417.44733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N3OS/c1-13-8-10-16(11-9-13)25-19(28)14(2)29-20-26-17(15-6-4-3-5-7-15)12-18(27-20)21(22,23)24/h3-12,14H,1-2H3,(H,25,28)