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

Systemtic Name: 4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanamide CAS Name: 4-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanamide Traditional Name: N-benzyl-4-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]butyramide Formula: C20H18F3N3O2S MolecularWeight: 421.43603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3N3O2S/c21-20(22,23)17-12-15(16-8-4-10-28-16)25-19(26-17)29-11-5-9-18(27)24-13-14-6-2-1-3-7-14/h1-4,6-8,10,12H,5,9,11,13H2,(H,24,27)