(trans)-2-(Benzo[d][1,3]dioxol-6-yl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one

SpectraBase Compound ID	BzBouM5j35y
InChI	InChI=1S/C18H22N6O3S/c1-11-15(25)24(16(28-11)12-3-4-13-14(9-12)27-10-26-13)18-19-17(20-21-18)23-7-5-22(2)6-8-23/h3-4,9,11,16H,5-8,10H2,1-2H3,(H,19,20,21)/t11-,16-/m1/s1
InChIKey	XPYJELUENVADAL-BDJLRTHQSA-N Google Search
Mol Weight	402.47 g/mol
Molecular Formula	C18H22N6O3S
Exact Mass	402.14741 g/mol

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SpectraBase Spectrum ID	kWrrFq53lS
Name	(trans)-2-(Benzo[d][1,3]dioxol-6-yl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H22N6O3S
InChI	InChI=1S/C18H22N6O3S/c1-11-15(25)24(16(28-11)12-3-4-13-14(9-12)27-10-26-13)18-19-17(20-21-18)23-7-5-22(2)6-8-23/h3-4,9,11,16H,5-8,10H2,1-2H3,(H,19,20,21)/t11-,16-/m1/s1
InChIKey	XPYJELUENVADAL-BDJLRTHQSA-N
Literature Reference DOI	10.1002/ardp.201100001
Molecular Weight	402.473 g/mol
SMILES	[nH]1c(nc(n1)N1CCN(CC1)C)N1[C@](S[C@@](C1=O)(C)[H])(c1cc2c(OCO2)cc1)[H]
SPLASH	splash10-0fef-9024400000-5e3ef7e825b45788b854
Source of Spectrum	APC-344-828-1t
Synonyms	(2R,5R)-2-(benzo[d][1,3]dioxol-5-yl)-5-methyl-3-(3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl)thiazolidin-4-one
Wiley ID	1769189