2-methoxy-4-((E)-{[3-sulfanyl-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol

SpectraBase Compound ID	6glLyWVyJsL
InChI	InChI=1S/C16H16N6O2S/c1-24-13-7-9(5-6-12(13)23)8-17-22-15(20-21-16(22)25)14-10-3-2-4-11(10)18-19-14/h5-8,23H,2-4H2,1H3,(H,18,19)(H,21,25)/b17-8+
InChIKey	VDULJFTWNBLDMB-CAOOACKPSA-N Google Search
Mol Weight	356.4 g/mol
Molecular Formula	C16H16N6O2S
Exact Mass	356.105545 g/mol

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SpectraBase Spectrum ID	BWG3cDhJFRo
Name	2-methoxy-4-((E)-{[3-sulfanyl-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
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/C16H16N6O2S/c1-24-13-7-9(5-6-12(13)23)8-17-22-15(20-21-16(22)25)14-10-3-2-4-11(10)18-19-14/h5-8,23H,2-4H2,1H3,(H,18,19)(H,21,25)/b17-8+
InChIKey	VDULJFTWNBLDMB-CAOOACKPSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_10552
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: E00621; Labnumber: GRES-17903; SBI_ID: SBI-010555
Synonyms	2-methoxy-4-({[3-sulfanyl-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Temperature	318 °C