N-(4-ethanoylphenyl)-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(4-ethanoylphenyl)-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanamide Openeye Name: N-(4-acetylphenyl)-4-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanamide CAS Name: N-(4-acetylphenyl)-4-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]butanamide IUPAC Name: N-(4-acetylphenyl)-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanamide Traditional Name: N-(4-acetylphenyl)-4-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]butyramide Formula: C21H18F3N3O3S MolecularWeight: 449.44613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N3O3S/c1-13(28)14-6-8-15(9-7-14)25-19(29)5-3-11-31-20-26-16(17-4-2-10-30-17)12-18(27-20)21(22,23)24/h2,4,6-10,12H,3,5,11H2,1H3,(H,25,29)