2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(4,6-diphenyl-2-pyrimidinyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(4,6-diphenylpyrimidin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C25H18F3N3OS MolecularWeight: 465.49013

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C25H18F3N3OS/c26-25(27,28)19-12-7-13-20(14-19)29-23(32)16-33-24-30-21(17-8-3-1-4-9-17)15-22(31-24)18-10-5-2-6-11-18/h1-15H,16H2,(H,29,32)