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5-Methyl-3-(4-(8-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-6-yl)phenyl)-1,3,4-oxadiazol-2(3H)-one
SpectraBase Compound ID I04NurEqbNB
InChI InChI=1S/C20H14N6O2S/c1-13-23-26(20(27)28-13)16-9-7-14(8-10-16)17-11-18(15-5-3-2-4-6-15)29-19-22-21-12-25(19)24-17/h2-12H,1H3
InChIKey BPEBUNJYQUEUPA-UHFFFAOYSA-N
Mol Weight 402.43 g/mol
Molecular Formula C20H14N6O2S
Exact Mass 402.089895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQwCr3GVhd0
Name 5-Methyl-3-(4-(8-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-6-yl)phenyl)-1,3,4-oxadiazol-2(3H)-one
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Formula C20H14N6O2S
InChI InChI=1S/C20H14N6O2S/c1-13-23-26(20(27)28-13)16-9-7-14(8-10-16)17-11-18(15-5-3-2-4-6-15)29-19-22-21-12-25(19)24-17/h2-12H,1H3
InChIKey BPEBUNJYQUEUPA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200690007
Molecular Weight 402.432 g/mol
SMILES C1(OC(=NN1c1ccc(cc1)C=1C=C(Sc2[n](N1)cnn2)c1ccccc1)C)=O
SPLASH splash10-004i-3975100000-19ab1a6634f089489ab9
Source of Spectrum CJC-24-133-8a
Wiley ID 1774206