4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol

SpectraBase Compound ID	498EXEJAI3d
InChI	InChI=1S/C15H12BrFN6S/c16-9-4-5-11(17)8(6-9)7-18-23-14(21-22-15(23)24)13-10-2-1-3-12(10)19-20-13/h4-7H,1-3H2,(H,19,20)(H,22,24)/b18-7+
InChIKey	NREQGPMFSUBEBV-CNHKJKLMSA-N Google Search
Mol Weight	407.27 g/mol
Molecular Formula	C15H12BrFN6S
Exact Mass	406.001157 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	1ltbSfdzupO
Name	4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-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/C15H12BrFN6S/c16-9-4-5-11(17)8(6-9)7-18-23-14(21-22-15(23)24)13-10-2-1-3-12(10)19-20-13/h4-7H,1-3H2,(H,19,20)(H,22,24)/b18-7+
InChIKey	NREQGPMFSUBEBV-CNHKJKLMSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4122
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: E00806; Labnumber: GRES-30701; SBI_ID: SBI-004124
Synonyms	4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(5-bromo-2-fluorophenyl)methylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Temperature	308 °C