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5-Methyl-3-(4-(3-methyl-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 HmlCYa4hJUg
InChI InChI=1S/C21H16N6O2S/c1-13-22-23-20-26(13)25-18(12-19(30-20)16-6-4-3-5-7-16)15-8-10-17(11-9-15)27-21(28)29-14(2)24-27/h3-12H,1-2H3
InChIKey LPTRDIGBYMCREX-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 Faqo1c29sSz
Name 5-Methyl-3-(4-(3-methyl-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 C21H16N6O2S
InChI InChI=1S/C21H16N6O2S/c1-13-22-23-20-26(13)25-18(12-19(30-20)16-6-4-3-5-7-16)15-8-10-17(11-9-15)27-21(28)29-14(2)24-27/h3-12H,1-2H3
InChIKey LPTRDIGBYMCREX-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)c(nn2)C)c1ccccc1)C)=O
SPLASH splash10-0iml-2392000000-3d8c765cb343e973b3cc
Source of Spectrum CJC-24-133-8d
Wiley ID 1774209