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

Systemtic Name: 3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)propanamide Openeye Name: 3-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(4-pyridylmethyl)propanamide CAS Name: 3-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(pyridin-4-ylmethyl)propanamide IUPAC Name: 3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)propanamide Traditional Name: 3-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-(4-pyridylmethyl)propionamide Formula: C18H15F3N4O2S MolecularWeight: 408.39751

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=CC(=NC(=N2)SCCC(=O)NCC3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

C1=COC(=C1)C2=CC(=NC(=N2)SCCC(=O)NCC3=CC=NC=C3)C(F)(F)F

InChI

InChI=1S/C18H15F3N4O2S/c19-18(20,21)15-10-13(14-2-1-8-27-14)24-17(25-15)28-9-5-16(26)23-11-12-3-6-22-7-4-12/h1-4,6-8,10H,5,9,11H2,(H,23,26)