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

Systemtic Name: N-(2-ethylphenyl)-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanamide Openeye Name: N-(2-ethylphenyl)-4-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanamide CAS Name: N-(2-ethylphenyl)-4-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]butanamide IUPAC Name: N-(2-ethylphenyl)-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanamide Traditional Name: N-(2-ethylphenyl)-4-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]butyramide Formula: C21H20F3N3O2S MolecularWeight: 435.46261

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CCCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CCCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C21H20F3N3O2S/c1-2-14-7-3-4-8-15(14)25-19(28)10-6-12-30-20-26-16(17-9-5-11-29-17)13-18(27-20)21(22,23)24/h3-5,7-9,11,13H,2,6,10,12H2,1H3,(H,25,28)