N-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(2-pyridyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(2-pyridinyl)ethyl]-2-[[3-(trifluoromethyl)phenyl]thio]-3-pyridinecarboxamide IUPAC Name: N-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carboxamide Traditional Name: N-[2-(2-pyridyl)ethyl]-2-[[3-(trifluoromethyl)phenyl]thio]nicotinamide Formula: C20H16F3N3OS MolecularWeight: 403.42075

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCNC(=O)C2=C(N=CC=C2)SC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)CCNC(=O)C2=C(N=CC=C2)SC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H16F3N3OS/c21-20(22,23)14-5-3-7-16(13-14)28-19-17(8-4-11-26-19)18(27)25-12-9-15-6-1-2-10-24-15/h1-8,10-11,13H,9,12H2,(H,25,27)