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(trans)-5-Methyl-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one
SpectraBase Compound ID DIJUMDbZoNO
InChI InChI=1S/C17H22N6OS/c1-12-14(24)23(15(25-12)13-6-4-3-5-7-13)17-18-16(19-20-17)22-10-8-21(2)9-11-22/h3-7,12,15H,8-11H2,1-2H3,(H,18,19,20)/t12-,15-/m1/s1
InChIKey PBAUAJSQAGEPIG-IUODEOHRSA-N
Mol Weight 358.46 g/mol
Molecular Formula C17H22N6OS
Exact Mass 358.157581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4dd6AjDXWN
Name (trans)-5-Methyl-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N6OS
InChI InChI=1S/C17H22N6OS/c1-12-14(24)23(15(25-12)13-6-4-3-5-7-13)17-18-16(19-20-17)22-10-8-21(2)9-11-22/h3-7,12,15H,8-11H2,1-2H3,(H,18,19,20)/t12-,15-/m1/s1
InChIKey PBAUAJSQAGEPIG-IUODEOHRSA-N
Literature Reference DOI 10.1002/ardp.201100001
Molecular Weight 358.464 g/mol
SMILES [nH]1c(nc(n1)N1CCN(CC1)C)N1[C@](S[C@@](C1=O)(C)[H])(c1ccccc1)[H]
SPLASH splash10-0kg9-7093000000-776a1408c53c59e770d2
Source of Spectrum APC-344-827-1l
Synonyms (2R,5R)-5-methyl-3-(3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl)-2-phenylthiazolidin-4-one
Wiley ID 1769181