4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(3-pyridylmethyl)butanamide CAS Name: 4-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-(3-pyridylmethyl)butyramide Formula: C19H17F3N4O2S MolecularWeight: 422.42409

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)CCCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)CCCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C19H17F3N4O2S/c20-19(21,22)16-10-14(15-5-2-8-28-15)25-18(26-16)29-9-3-6-17(27)24-12-13-4-1-7-23-11-13/h1-2,4-5,7-8,10-11H,3,6,9,12H2,(H,24,27)