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(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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(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
Mol Weight 402.47 g/mol
Molecular Formula C18H22N6O3S
Exact Mass 402.14741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LxrcHvmSba
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
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.147409763 u
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
Molecular Weight 402.473 g/mol
SMILES [C@]1(S[C@@](C(N1C1=NC(=NN1)N1CCN(CC1)C)=O)(C)[H])(C=1C=C2C(OCO2)=CC1)[H]