2-{[4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-3-pyridinylmethylidene]acetohydrazide

SpectraBase Compound ID	4VqZseDLNJs
InChI	InChI=1S/C21H16ClN7OS/c22-17-3-5-18(6-4-17)29-20(16-7-10-23-11-8-16)27-28-21(29)31-14-19(30)26-25-13-15-2-1-9-24-12-15/h1-13H,14H2,(H,26,30)/b25-13+
InChIKey	PBCYUWXYLOHRAX-DHRITJCHSA-N Google Search
Mol Weight	449.92 g/mol
Molecular Formula	C21H16ClN7OS
Exact Mass	449.082557 g/mol

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SpectraBase Spectrum ID	FzxlKZtRoL1
Name	2-{[4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-3-pyridinylmethylidene]acetohydrazide
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/C21H16ClN7OS/c22-17-3-5-18(6-4-17)29-20(16-7-10-23-11-8-16)27-28-21(29)31-14-19(30)26-25-13-15-2-1-9-24-12-15/h1-13H,14H2,(H,26,30)/b25-13+
InChIKey	PBCYUWXYLOHRAX-DHRITJCHSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_17056
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: D25456; Labnumber: GRES-03739; SBI_ID: SBI-017059
Synonyms	2-{[4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-pyridinylmethylidene]acetohydrazide
Temperature	308 °C