4-methylphenyl [3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl ether

SpectraBase Compound ID	7EcsCgisPOK
InChI	InChI=1S/C17H16N6OS/c1-10-5-7-11(8-6-10)24-9-14-22-23-16(20-21-17(23)25-14)15-12-3-2-4-13(12)18-19-15/h5-8H,2-4,9H2,1H3,(H,18,19)
InChIKey	IDJLBPDLAQCIBG-UHFFFAOYSA-N Google Search
Mol Weight	352.42 g/mol
Molecular Formula	C17H16N6OS
Exact Mass	352.11063 g/mol

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SpectraBase Spectrum ID	30TXCqiUYZ8
Name	4-methylphenyl [3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl ether
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/C17H16N6OS/c1-10-5-7-11(8-6-10)24-9-14-22-23-16(20-21-17(23)25-14)15-12-3-2-4-13(12)18-19-15/h5-8H,2-4,9H2,1H3,(H,18,19)
InChIKey	IDJLBPDLAQCIBG-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_10592
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: E00698; Labnumber: GRES-23344; SBI_ID: SBI-010595
Synonyms	6-[(4-methylphenoxy)methyl]-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Temperature	318 °C