N-[[(2S)-7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[[(2S)-7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[[(2S)-7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[[(2S)-7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]-2-(4-pyridylthio)acetamide Formula: C21H19ClN4O2S2 MolecularWeight: 458.98416

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=CC3=C(C(=C2)Cl)OC(C3)CNC(=O)CSC4=CC=NC=C4

Isomeric SMILES

CSC1=NC=CC(=N1)C2=CC3=C(C(=C2)Cl)O[C@@H](C3)CNC(=O)CSC4=CC=NC=C4

InChI

InChI=1S/C21H19ClN4O2S2/c1-29-21-24-7-4-18(26-21)13-8-14-9-15(28-20(14)17(22)10-13)11-25-19(27)12-30-16-2-5-23-6-3-16/h2-8,10,15H,9,11-12H2,1H3,(H,25,27)/t15-/m0/s1