N-(3-ethanoylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-acetylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(3-acetylphenyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(3-acetylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(3-acetylphenyl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C22H18F3N3O2S MolecularWeight: 445.45743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C22H18F3N3O2S/c1-13(29)16-9-6-10-17(11-16)26-20(30)14(2)31-21-27-18(15-7-4-3-5-8-15)12-19(28-21)22(23,24)25/h3-12,14H,1-2H3,(H,26,30)