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2,3-Dihydro-5-methyl-3-{p-[3'-(1"H-amino-1",3",4"-triazol-2"-ylthio)-3'-p-tolyl-acr-1'-oyl]phenyl}-2-oxo-1,3,4-oxadiazole
SpectraBase Compound ID BpJbtwdNLGA
InChI InChI=1S/C21H18N6O3S/c1-13-3-5-16(6-4-13)19(31-20-24-23-12-26(20)22)11-18(28)15-7-9-17(10-8-15)27-21(29)30-14(2)25-27/h3-12H,22H2,1-2H3/b19-11-
InChIKey YPLVGACACKRTJV-ODLFYWEKSA-N
Mol Weight 434.47 g/mol
Molecular Formula C21H18N6O3S
Exact Mass 434.11611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 171j71Isqm
Name 2,3-Dihydro-5-methyl-3-{p-[3'-(1"H-amino-1",3",4"-triazol-2"-ylthio)-3'-p-tolyl-acr-1'-oyl]phenyl}-2-oxo-1,3,4-oxadiazole
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Formula C21H18N6O3S
InChI InChI=1S/C21H18N6O3S/c1-13-3-5-16(6-4-13)19(31-20-24-23-12-26(20)22)11-18(28)15-7-9-17(10-8-15)27-21(29)30-14(2)25-27/h3-12H,22H2,1-2H3/b19-11-
InChIKey YPLVGACACKRTJV-ODLFYWEKSA-N
Literature Reference DOI 10.1002/cjoc.200690007
Molecular Weight 434.474 g/mol
SMILES N[n]1c(S\C(=C/C(c2ccc(N3C(OC(=N3)C)=O)cc2)=O)c2ccc(cc2)C)nnc1
SPLASH splash10-0aou-7981700000-b5efb5cfabfa6e83e957
Source of Spectrum CJC-24-132-7b
Synonyms (Z)-3-(4-(3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-3-(p-tolyl)acryloyl)phenyl)-5-methyl-1,3,4-oxadiazol-2(3H)-one
Wiley ID 1774201