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2,3-Dihydro-5-methyl-3-{p-[3'-(1"H-amino-1",3",4"-triazol-2"-ylthio)-3'-p-chlorophenyl-acr-1'-oyl]-phenyl}-2-oxo-1,3,4-oxadiazole
SpectraBase Compound ID 8Cg2ZbXRIZj
InChI InChI=1S/C20H15ClN6O3S/c1-12-25-27(20(29)30-12)16-8-4-13(5-9-16)17(28)10-18(14-2-6-15(21)7-3-14)31-19-24-23-11-26(19)22/h2-11H,22H2,1H3/b18-10-
InChIKey MRTXMVHSIXMHRZ-ZDLGFXPLSA-N
Mol Weight 454.89 g/mol
Molecular Formula C20H15ClN6O3S
Exact Mass 454.061487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SrlaQwlz3X
Name 2,3-Dihydro-5-methyl-3-{p-[3'-(1"H-amino-1",3",4"-triazol-2"-ylthio)-3'-p-chlorophenyl-acr-1'-oyl]-phenyl}-2-oxo-1,3,4-oxadiazole
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Formula C20H15ClN6O3S
InChI InChI=1S/C20H15ClN6O3S/c1-12-25-27(20(29)30-12)16-8-4-13(5-9-16)17(28)10-18(14-2-6-15(21)7-3-14)31-19-24-23-11-26(19)22/h2-11H,22H2,1H3/b18-10-
InChIKey MRTXMVHSIXMHRZ-ZDLGFXPLSA-N
Literature Reference DOI 10.1002/cjoc.200690007
Molecular Weight 454.892 g/mol
SMILES N[n]1c(S\C(=C/C(c2ccc(N3C(=O)OC(=N3)C)cc2)=O)c2ccc(cc2)Cl)nnc1
SPLASH splash10-01t9-0960800000-e914c7d4c66ddfd70d19
Source of Spectrum CJC-24-132-7c
Synonyms (Z)-3-(4-(3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-3-(4-chlorophenyl)acryloyl)phenyl)-5-methyl-1,3,4-oxadiazol-2(3H)-one
Wiley ID 1774202