N-(pyridin-2-ylmethyl)-2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(pyridin-2-ylmethyl)-2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(2-pyridylmethyl)-2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carboxamide CAS Name: N-(2-pyridinylmethyl)-2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylthio]-3-pyridinecarboxamide IUPAC Name: N-(pyridin-2-ylmethyl)-2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(2-pyridylmethyl)-2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylthio]nicotinamide Formula: C21H18F3N3O3S2 MolecularWeight: 481.51113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O3S2/c22-21(23,24)15-5-3-7-17(13-15)32(29,30)12-11-31-20-18(8-4-10-26-20)19(28)27-14-16-6-1-2-9-25-16/h1-10,13H,11-12,14H2,(H,27,28)