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(5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid[3-methyl-4-oxo-thiazolidin-(2E)-ylidene]-hydrazide
SpectraBase Compound ID 3k6c65T9A6E
InChI InChI=1S/C21H20N6O2S2/c1-26-19(29)14-31-20(26)24-23-18(28)13-30-21-25-22-17(12-15-8-4-2-5-9-15)27(21)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,23,28)/b24-20+
InChIKey AQRGRUKYGVJGCN-HIXSDJFHSA-N
Mol Weight 452.55 g/mol
Molecular Formula C21H20N6O2S2
Exact Mass 452.108916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FaSrppeLNX
Name (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid[3-methyl-4-oxo-thiazolidin-(2E)-ylidene]-hydrazide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N6O2S2
InChI InChI=1S/C21H20N6O2S2/c1-26-19(29)14-31-20(26)24-23-18(28)13-30-21-25-22-17(12-15-8-4-2-5-9-15)27(21)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,23,28)/b24-20+
InChIKey AQRGRUKYGVJGCN-HIXSDJFHSA-N
Molecular Weight 452.551 g/mol
SMILES N(\N=C/1N(C(=O)CS1)C)C(CSc1[n](c(nn1)Cc1ccccc1)-c1ccccc1)=O
SPLASH splash10-015c-3290000000-77a6aa0120acebb950ef
Source of Spectrum Y-45-903-6a
Synonyms 2-(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-ylthio)-N'-(3-methyl-4-oxothiazolidin-2-ylidene)acetohydrazide
Wiley ID 1666089