2-(3-cyano-6-pyridin-4-yl-pyridin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(3-cyano-6-pyridin-4-yl-pyridin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[[3-cyano-6-(4-pyridyl)-2-pyridyl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[3-cyano-6-(4-pyridyl)-2-pyridyl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C20H13F3N4OS MolecularWeight: 414.40363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=C(C=CC(=N2)C3=CC=NC=C3)C#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=C(C=CC(=N2)C3=CC=NC=C3)C#N)C(F)(F)F

InChI

InChI=1S/C20H13F3N4OS/c21-20(22,23)15-2-1-3-16(10-15)26-18(28)12-29-19-14(11-24)4-5-17(27-19)13-6-8-25-9-7-13/h1-10H,12H2,(H,26,28)