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2,3-Dihydro-5-methyl-3-{p-[3'-(1"H-amino-5"-methyl-1",3",4"-triazol-2"-ylthio)-3'-p-tolyl-acr-1'-oyl]phenyl}-2-oxo-1,3,4-oxadiazole
SpectraBase Compound ID B8V6NZfejbK
InChI InChI=1S/C22H20N6O3S/c1-13-4-6-17(7-5-13)20(32-21-25-24-14(2)27(21)23)12-19(29)16-8-10-18(11-9-16)28-22(30)31-15(3)26-28/h4-12H,23H2,1-3H3/b20-12-
InChIKey CPMFRHLKNNSFLE-NDENLUEZSA-N
Mol Weight 448.5 g/mol
Molecular Formula C22H20N6O3S
Exact Mass 448.13176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mbdCHFmDHk
Name 2,3-Dihydro-5-methyl-3-{p-[3'-(1"H-amino-5"-methyl-1",3",4"-triazol-2"-ylthio)-3'-p-tolyl-acr-1'-oyl]phenyl}-2-oxo-1,3,4-oxadiazole
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Formula C22H20N6O3S
InChI InChI=1S/C22H20N6O3S/c1-13-4-6-17(7-5-13)20(32-21-25-24-14(2)27(21)23)12-19(29)16-8-10-18(11-9-16)28-22(30)31-15(3)26-28/h4-12H,23H2,1-3H3/b20-12-
InChIKey CPMFRHLKNNSFLE-NDENLUEZSA-N
Literature Reference DOI 10.1002/cjoc.200690007
Molecular Weight 448.501 g/mol
SMILES N[n]1c(S\C(=C/C(c2ccc(N3N=C(OC3=O)C)cc2)=O)c2ccc(cc2)C)nnc1C
SPLASH splash10-0229-4980800000-58f8788db26236cff593
Source of Spectrum CJC-24-132-7e
Synonyms (Z)-3-(4-(3-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(p-tolyl)acryloyl)phenyl)-5-methyl-1,3,4-oxadiazol-2(3H)-one
Wiley ID 1774204