4-(2-chlorophenyl)-5-{[2-(2-pyridinyl)-1H-benzimidazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol

SpectraBase Compound ID	CKNmYKeT3yD
InChI	InChI=1S/C21H15ClN6S/c22-14-7-1-3-10-17(14)28-19(25-26-21(28)29)13-27-18-11-4-2-8-15(18)24-20(27)16-9-5-6-12-23-16/h1-12H,13H2,(H,26,29)
InChIKey	CNLAEAVRBGWHLI-UHFFFAOYSA-N Google Search
Mol Weight	418.91 g/mol
Molecular Formula	C21H15ClN6S
Exact Mass	418.076743 g/mol

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SpectraBase Spectrum ID	K8MWe5I3Hxk
Name	4-(2-chlorophenyl)-5-{[2-(2-pyridinyl)-1H-benzimidazol-1-yl]methyl}-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/C21H15ClN6S/c22-14-7-1-3-10-17(14)28-19(25-26-21(28)29)13-27-18-11-4-2-8-15(18)24-20(27)16-9-5-6-12-23-16/h1-12H,13H2,(H,26,29)
InChIKey	CNLAEAVRBGWHLI-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_35817
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: E94358; SBI_ID: SBI-035821
Synonyms	4-(2-chlorophenyl)-5-{[2-(2-pyridinyl)-1H-benzimidazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature	308 °C