2-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-(4-pyridylmethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide CAS Name: 2-(pyridin-4-ylmethylthio)-N-[3-(trifluoromethyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-(4-pyridylmethylthio)-N-[3-(trifluoromethyl)phenyl]nicotinamide Formula: C19H14F3N3OS MolecularWeight: 389.39417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3)C(F)(F)F

InChI

InChI=1S/C19H14F3N3OS/c20-19(21,22)14-3-1-4-15(11-14)25-17(26)16-5-2-8-24-18(16)27-12-13-6-9-23-10-7-13/h1-11H,12H2,(H,25,26)