2-(6-acetamidopyridin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

Systemtic Name: 2-(6-acetamidopyridin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide Openeye Name: 2-[(6-acetamido-3-pyridyl)sulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide CAS Name: 2-[(6-acetamido-3-pyridinyl)thio]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide IUPAC Name: 2-(6-acetamidopyridin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide Traditional Name: 2-[(6-acetamido-3-pyridyl)thio]-N-[3-(trifluoromethyl)benzyl]benzamide Formula: C22H18F3N3O2S MolecularWeight: 445.45743

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(C=C1)SC2=CC=CC=C2C(=O)NCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=NC=C(C=C1)SC2=CC=CC=C2C(=O)NCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H18F3N3O2S/c1-14(29)28-20-10-9-17(13-26-20)31-19-8-3-2-7-18(19)21(30)27-12-15-5-4-6-16(11-15)22(23,24)25/h2-11,13H,12H2,1H3,(H,27,30)(H,26,28,29)