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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

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 44TIfeZmHSt
Name (Trans)-5-methyl-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.157580525 u
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
Molecular Weight 358.464 g/mol
SMILES [C@]1(S[C@@](C(N1C1=NC(=NN1)N1CCN(CC1)C)=O)(C)[H])(C=1C=CC=CC1)[H]