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2,3-Dihydro-5-methyl-3-{p-[3'-(1"H-amino-1",3",4"-triazol-2"-ylthio)-3'-phenyl-acr-1'-oyl]phenyl}-2-oxo-1,3,4-oxadiazole
SpectraBase Compound ID Bk5PZHyDHWo
InChI InChI=1S/C20H16N6O3S/c1-13-24-26(20(28)29-13)16-9-7-14(8-10-16)17(27)11-18(15-5-3-2-4-6-15)30-19-23-22-12-25(19)21/h2-12H,21H2,1H3/b18-11-
InChIKey WMOPFOOSTZZWJR-WQRHYEAKSA-N
Mol Weight 420.45 g/mol
Molecular Formula C20H16N6O3S
Exact Mass 420.10046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1U2mSx1ZuoR
Name 2,3-Dihydro-5-methyl-3-{p-[3'-(1"H-amino-1",3",4"-triazol-2"-ylthio)-3'-phenyl-acr-1'-oyl]phenyl}-2-oxo-1,3,4-oxadiazole
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Formula C20H16N6O3S
InChI InChI=1S/C20H16N6O3S/c1-13-24-26(20(28)29-13)16-9-7-14(8-10-16)17(27)11-18(15-5-3-2-4-6-15)30-19-23-22-12-25(19)21/h2-12H,21H2,1H3/b18-11-
InChIKey WMOPFOOSTZZWJR-WQRHYEAKSA-N
Literature Reference DOI 10.1002/cjoc.200690007
Molecular Weight 420.447 g/mol
SMILES N[n]1c(S\C(=C/C(c2ccc(N3C(OC(=N3)C)=O)cc2)=O)c2ccccc2)nnc1
SPLASH splash10-01r2-4974200000-027a1fd2e17541a2d119
Source of Spectrum CJC-24-132-7a
Synonyms (Z)-3-(4-(3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-3-phenylacryloyl)phenyl)-5-methyl-1,3,4-oxadiazol-2(3H)-one
Wiley ID 1774200