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

Systemtic Name: 2-[3-cyano-6-(phenylmethyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-cyclopropyl-ethanamide Openeye Name: 2-[[6-benzyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: 2-[[3-cyano-6-(phenylmethyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[6-benzyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[[6-benzyl-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]-N-cyclopropyl-acetamide Formula: C19H16F3N3OS MolecularWeight: 391.41005

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=C(C(=CC(=N2)CC3=CC=CC=C3)C(F)(F)F)C#N

Isomeric SMILES

C1CC1NC(=O)CSC2=C(C(=CC(=N2)CC3=CC=CC=C3)C(F)(F)F)C#N

InChI

InChI=1S/C19H16F3N3OS/c20-19(21,22)16-9-14(8-12-4-2-1-3-5-12)25-18(15(16)10-23)27-11-17(26)24-13-6-7-13/h1-5,9,13H,6-8,11H2,(H,24,26)