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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-chlorophenyl-acr-1'-oyl]phenyl}-2-oxo-1,3,4-oxadiazole

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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-chlorophenyl-acr-1'-oyl]phenyl}-2-oxo-1,3,4-oxadiazole
SpectraBase Compound ID 2mPW1O0t1hP
InChI InChI=1S/C21H17ClN6O3S/c1-12-24-25-20(27(12)23)32-19(15-3-7-16(22)8-4-15)11-18(29)14-5-9-17(10-6-14)28-21(30)31-13(2)26-28/h3-11H,23H2,1-2H3/b19-11-
InChIKey PZWSDTZNQGLJSI-ODLFYWEKSA-N
Mol Weight 468.92 g/mol
Molecular Formula C21H17ClN6O3S
Exact Mass 468.077137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9y0gBbeZgns
Name 2,3-Dihydro-5-methyl-3-{p-[3'-(1"H-amino-5"-methyl-1",3",4"-triazol-2"-ylthio)-3'-p-chlorophenyl-acr-1'-oyl]phenyl}-2-oxo-1,3,4-oxadiazole
Alternate Name(s) (Z)-3-(4-(3-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(4-chlorophenyl)acryloyl)phenyl)-5-methyl-1,3,4-oxadiazol-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClN6O3S
InChI InChI=1S/C21H17ClN6O3S/c1-12-24-25-20(27(12)23)32-19(15-3-7-16(22)8-4-15)11-18(29)14-5-9-17(10-6-14)28-21(30)31-13(2)26-28/h3-11H,23H2,1-2H3/b19-11-
InChIKey PZWSDTZNQGLJSI-ODLFYWEKSA-N
Literature Reference DOI 10.1002/cjoc.200690007
Molecular Weight 468.919 g/mol
SMILES N[n]1c(S\C(=C/C(c2ccc(N3N=C(OC3=O)C)cc2)=O)c2ccc(cc2)Cl)nnc1C
SPLASH splash10-01ox-0960700000-992600d24ddc1b3f96b7
Source of Spectrum CJC-24-133-7f
Wiley ID 1774205