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The condensation reaction of the mesitonitrile oxide with 2-methyl-3,5-bis(methylthio)-7-phenyl-1,2,4-triazepine is peri and regioselective. The 1,3-dipolar cycloaddition occurs in a unique way on the C=C double bond of the 1,2,4-triazepine and leads to the title compound, C22H22N4OS. The isoxazole ring is planar while the triazepine ring adopts a boat conformation.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks text, du1140a

CCDC reference: 126713

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