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4-Phenyl-2-{[4-(4-fluorophenyl)piperazine-1-yl]methyl}-5-(pyridine-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID SLy6GtTZum
InChI InChI=1S/C24H23FN6S/c25-20-8-10-21(11-9-20)29-15-13-28(14-16-29)18-30-24(32)31(22-6-2-1-3-7-22)23(27-30)19-5-4-12-26-17-19/h1-12,17H,13-16,18H2
InChIKey LUJNZANRYCHJHC-UHFFFAOYSA-N
Mol Weight 446.55 g/mol
Molecular Formula C24H23FN6S
Exact Mass 446.168894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHXFBEmiJJk
Name 4-Phenyl-2-{[4-(4-fluorophenyl)piperazine-1-yl]methyl}-5-(pyridine-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H23FN6S
InChI InChI=1S/C24H23FN6S/c25-20-8-10-21(11-9-20)29-15-13-28(14-16-29)18-30-24(32)31(22-6-2-1-3-7-22)23(27-30)19-5-4-12-26-17-19/h1-12,17H,13-16,18H2
InChIKey LUJNZANRYCHJHC-UHFFFAOYSA-N
Molecular Weight 446.548 g/mol
SMILES c1ncccc1C1=NN(C(N1c1ccccc1)=S)CN1CCN(CC1)c1ccc(cc1)F
SPLASH splash10-01s9-0930500000-b17f2237a704f51cdb7d
Source of Spectrum APC-346-752-21
Synonyms 1-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-4-phenyl-3-(pyridin-3-yl)-1H-1,2,4-triazole-5(4H)-thione
Wiley ID 1769452