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

Systemtic Name: N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[5-(3-methoxyphenyl)isoxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[5-(3-methoxyphenyl)-3-isoxazolyl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[5-(3-methoxyphenyl)isoxazol-3-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NO2)CNC(=O)CSC3=NC=CC=N3

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NO2)CNC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C17H16N4O3S/c1-23-14-5-2-4-12(8-14)15-9-13(21-24-15)10-20-16(22)11-25-17-18-6-3-7-19-17/h2-9H,10-11H2,1H3,(H,20,22)