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2-(4-Chlorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one

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2-(4-Chlorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one
SpectraBase Compound ID JRpjFNXhEyp
InChI InChI=1S/C17H21ClN6OS/c1-11-14(25)24(15(26-11)12-3-5-13(18)6-4-12)17-19-16(20-21-17)23-9-7-22(2)8-10-23/h3-6,11,15H,7-10H2,1-2H3,(H,19,20,21)/t11-,15-/m1/s1
InChIKey GDZSHLSNDYRBDU-IAQYHMDHSA-N
Mol Weight 392.91 g/mol
Molecular Formula C17H21ClN6OS
Exact Mass 392.118608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LN77696z9Qc
Name 2-(4-Chlorophenyl)-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 392.118608193 u
Formula C17H21ClN6OS
InChI InChI=1S/C17H21ClN6OS/c1-11-14(25)24(15(26-11)12-3-5-13(18)6-4-12)17-19-16(20-21-17)23-9-7-22(2)8-10-23/h3-6,11,15H,7-10H2,1-2H3,(H,19,20,21)/t11-,15-/m1/s1
InChIKey GDZSHLSNDYRBDU-IAQYHMDHSA-N
Molecular Weight 392.909 g/mol
SMILES [C@]1(S[C@@](C(N1C1=NC(=NN1)N1CCN(CC1)C)=O)(C)[H])(C=1C=CC(=CC1)Cl)[H]