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

Systemtic Name: N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[5-(4-chlorophenyl)isoxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[5-(4-chlorophenyl)-3-isoxazolyl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[5-(4-chlorophenyl)isoxazol-3-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)NCC2=NOC(=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)NCC2=NOC(=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN4O2S/c17-12-4-2-11(3-5-12)14-8-13(21-23-14)9-20-15(22)10-24-16-18-6-1-7-19-16/h1-8H,9-10H2,(H,20,22)