N-[[7-fluoranyl-5-(3-fluoranyl-4-methyl-phenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[7-fluoranyl-5-(3-fluoranyl-4-methyl-phenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[7-fluoro-5-(3-fluoro-4-methyl-phenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[7-fluoro-5-(3-fluoro-4-methylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[7-fluoro-5-(3-fluoro-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[7-fluoro-5-(3-fluoro-4-methyl-phenyl)coumaran-2-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C22H19F2N3O2S MolecularWeight: 427.466966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC3=C(C(=C2)F)OC(C3)CNC(=O)CSC4=NC=CC=N4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC3=C(C(=C2)F)OC(C3)CNC(=O)CSC4=NC=CC=N4)F

InChI

InChI=1S/C22H19F2N3O2S/c1-13-3-4-14(9-18(13)23)15-7-16-8-17(29-21(16)19(24)10-15)11-27-20(28)12-30-22-25-5-2-6-26-22/h2-7,9-10,17H,8,11-12H2,1H3,(H,27,28)