5-phenyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole

Systemtic Name: 5-phenyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole Openeye Name: 5-phenyl-3-(pyrimidin-2-ylsulfanylmethyl)isoxazole CAS Name: 5-phenyl-3-[(2-pyrimidinylthio)methyl]isoxazole IUPAC Name: 5-phenyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole Traditional Name: 5-phenyl-3-[(2-pyrimidylthio)methyl]isoxazole Formula: C14H11N3OS MolecularWeight: 269.32164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=NC=CC=N3

InChI

InChI=1S/C14H11N3OS/c1-2-5-11(6-3-1)13-9-12(17-18-13)10-19-14-15-7-4-8-16-14/h1-9H,10H2