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

SpectraBase Compound ID	A1PtVBQNKWA
InChI	InChI=1S/C22H20N6OS/c30-22-27-26-21(20-18-7-4-8-19(18)24-25-20)28(22)23-13-15-9-11-17(12-10-15)29-14-16-5-2-1-3-6-16/h1-3,5-6,9-13H,4,7-8,14H2,(H,24,25)(H,27,30)/b23-13+
InChIKey	IFJBDJDTCSUQGT-YDZHTSKRSA-N Google Search
Mol Weight	416.5 g/mol
Molecular Formula	C22H20N6OS
Exact Mass	416.14193 g/mol

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SpectraBase Spectrum ID	8EG7asRqjeK
Name	4-({(E)-[4-(benzyloxy)phenyl]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/C22H20N6OS/c30-22-27-26-21(20-18-7-4-8-19(18)24-25-20)28(22)23-13-15-9-11-17(12-10-15)29-14-16-5-2-1-3-6-16/h1-3,5-6,9-13H,4,7-8,14H2,(H,24,25)(H,27,30)/b23-13+
InChIKey	IFJBDJDTCSUQGT-YDZHTSKRSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_10516
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: E00562; Labnumber: GRES-13274; SBI_ID: SBI-010519
Synonyms	4-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-({[4-(benzyloxy)phenyl]methylidene}amino)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Temperature	318 °C