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5-Methyl-3-(4-(8-p-tolyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-6-yl)phenyl)-1,3,4-oxadiazol-2(3H)-one
SpectraBase Compound ID DNERZv2rArN
InChI InChI=1S/C21H16N6O2S/c1-13-3-5-16(6-4-13)19-11-18(25-26-12-22-23-20(26)30-19)15-7-9-17(10-8-15)27-21(28)29-14(2)24-27/h3-12H,1-2H3
InChIKey AZTMKNYMRZBMOP-UHFFFAOYSA-N
Mol Weight 416.46 g/mol
Molecular Formula C21H16N6O2S
Exact Mass 416.105545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5t70MCYQMi
Name 5-Methyl-3-(4-(8-p-tolyl-[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 C21H16N6O2S
InChI InChI=1S/C21H16N6O2S/c1-13-3-5-16(6-4-13)19-11-18(25-26-12-22-23-20(26)30-19)15-7-9-17(10-8-15)27-21(28)29-14(2)24-27/h3-12H,1-2H3
InChIKey AZTMKNYMRZBMOP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200690007
Molecular Weight 416.459 g/mol
SMILES C1(OC(=NN1c1ccc(cc1)C=1C=C(Sc2[n](N1)cnn2)c1ccc(cc1)C)C)=O
SPLASH splash10-03dl-2392000000-aae86636f16713668d94
Source of Spectrum CJC-24-133-8b
Synonyms 5-Methyl-3-(4-(8-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-6-yl)phenyl)-1,3,4-oxadiazol-2(3H)-one
Wiley ID 1774207