N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[5-(p-tolyl)isoxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[5-(4-methylphenyl)-3-isoxazolyl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[5-(p-tolyl)isoxazol-3-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)CNC(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)CNC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C17H16N4O2S/c1-12-3-5-13(6-4-12)15-9-14(21-23-15)10-20-16(22)11-24-17-18-7-2-8-19-17/h2-9H,10-11H2,1H3,(H,20,22)