N-[(7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[(7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[(7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl)methyl]-2-phenylsulfanyl-acetamide CAS Name: N-[[7-chloro-5-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(phenylthio)acetamide IUPAC Name: N-[(7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylsulfanylacetamide Traditional Name: N-[[7-chloro-5-(5-pyrimidyl)coumaran-2-yl]methyl]-2-(phenylthio)acetamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2Cl)C3=CN=CN=C3)CNC(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1C(OC2=C1C=C(C=C2Cl)C3=CN=CN=C3)CNC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C21H18ClN3O2S/c22-19-8-14(16-9-23-13-24-10-16)6-15-7-17(27-21(15)19)11-25-20(26)12-28-18-4-2-1-3-5-18/h1-6,8-10,13,17H,7,11-12H2,(H,25,26)