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

SpectraBase Compound ID	GCf86R430Ad
InChI	InChI=1S/C18H20N6O3S/c1-25-10-7-14(26-2)12(15(8-10)27-3)9-19-24-17(22-23-18(24)28)16-11-5-4-6-13(11)20-21-16/h7-9H,4-6H2,1-3H3,(H,20,21)(H,23,28)/b19-9+
InChIKey	BUAQBQFIDLDFHJ-DJKKODMXSA-N Google Search
Mol Weight	400.46 g/mol
Molecular Formula	C18H20N6O3S
Exact Mass	400.13176 g/mol

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SpectraBase Spectrum ID	9pnGEzUesij
Name	5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4-{[(E)-(2,4,6-trimethoxyphenyl)methylidene]amino}-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/C18H20N6O3S/c1-25-10-7-14(26-2)12(15(8-10)27-3)9-19-24-17(22-23-18(24)28)16-11-5-4-6-13(11)20-21-16/h7-9H,4-6H2,1-3H3,(H,20,21)(H,23,28)/b19-9+
InChIKey	BUAQBQFIDLDFHJ-DJKKODMXSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4007
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: E00487; Labnumber: GRES-08024; SBI_ID: SBI-004009
Synonyms	5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4-{[(E)-(2,4,6-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4-{[(2,4,6-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Temperature	318 °C