N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[5-(2-fluorophenyl)isoxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[5-(2-fluorophenyl)-3-isoxazolyl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[5-(2-fluorophenyl)isoxazol-3-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C16H13FN4O2S MolecularWeight: 344.363423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=NO2)CNC(=O)CSC3=NC=CC=N3)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=NO2)CNC(=O)CSC3=NC=CC=N3)F

InChI

InChI=1S/C16H13FN4O2S/c17-13-5-2-1-4-12(13)14-8-11(21-23-14)9-20-15(22)10-24-16-18-6-3-7-19-16/h1-8H,9-10H2,(H,20,22)