4-{[(E,2Z)-2-bromo-3-phenyl-2-propenylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol

SpectraBase Compound ID	FHmAfrtI3GL
InChI	InChI=1S/C20H15BrN6S/c21-16(11-14-7-3-1-4-8-14)13-22-27-19(25-26-20(27)28)18-12-17(23-24-18)15-9-5-2-6-10-15/h1-13H,(H,23,24)(H,26,28)/b16-11-,22-13+
InChIKey	YIORIQKCVIHNAN-HNYPPXODSA-N Google Search
Mol Weight	451.35 g/mol
Molecular Formula	C20H15BrN6S
Exact Mass	450.026229 g/mol

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SpectraBase Spectrum ID	F6SNjmJGoTX
Name	4-{[(E,2Z)-2-bromo-3-phenyl-2-propenylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
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/C20H15BrN6S/c21-16(11-14-7-3-1-4-8-14)13-22-27-19(25-26-20(27)28)18-12-17(23-24-18)15-9-5-2-6-10-15/h1-13H,(H,23,24)(H,26,28)/b16-11-,22-13+
InChIKey	YIORIQKCVIHNAN-HNYPPXODSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_10593
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: E00699; Labnumber: GRES-23356; SBI_ID: SBI-010596
Synonyms	4-{[(E,2Z)-2-bromo-3-phenyl-2-propenylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[2-bromo-3-phenyl-2-propenylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Temperature	318 °C