1-phenyl-4-{4-[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]-1-piperazinyl}phthalazine

SpectraBase Compound ID	j7OUPMdxe
InChI	InChI=1S/C22H21N7OS/c30-19(14-31-22-23-15-24-27-22)28-10-12-29(13-11-28)21-18-9-5-4-8-17(18)20(25-26-21)16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,23,24,27)
InChIKey	ZBGSGYMGYYFAAH-UHFFFAOYSA-N Google Search
Mol Weight	431.52 g/mol
Molecular Formula	C22H21N7OS
Exact Mass	431.152829 g/mol

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SpectraBase Spectrum ID	EU4peWIW9Xj
Name	1-phenyl-4-{4-[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]-1-piperazinyl}phthalazine
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C22H21N7OS/c30-19(14-31-22-23-15-24-27-22)28-10-12-29(13-11-28)21-18-9-5-4-8-17(18)20(25-26-21)16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,23,24,27)
InChIKey	ZBGSGYMGYYFAAH-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_23930
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D43971; Labnumber: RRAZ-1154; SBI_ID: SBI-023934
Synonyms	2-oxo-2-[4-(4-phenyl-1-phthalazinyl)-1-piperazinyl]ethyl 4H-1,2,4-triazol-3-yl sulfide
Temperature	300 °C