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

Systemtic Name: N-phenethyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-phenethyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-phenethyl-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-phenethyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-phenethyl-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:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

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