4-((E)-{[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenyl acetate

SpectraBase Compound ID	BP392ltwQnJ
InChI	InChI=1S/C18H15ClN4O3S/c1-11(24)26-15-8-7-12(9-16(15)25-2)10-20-23-17(21-22-18(23)27)13-5-3-4-6-14(13)19/h3-10H,1-2H3,(H,22,27)/b20-10+
InChIKey	BHZUVAQSXCOSCC-KEBDBYFISA-N Google Search
Mol Weight	402.86 g/mol
Molecular Formula	C18H15ClN4O3S
Exact Mass	402.055339 g/mol

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SpectraBase Spectrum ID	1Kc3QbVjKQF
Name	4-((E)-{[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenyl acetate
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/C18H15ClN4O3S/c1-11(24)26-15-8-7-12(9-16(15)25-2)10-20-23-17(21-22-18(23)27)13-5-3-4-6-14(13)19/h3-10H,1-2H3,(H,22,27)/b20-10+
InChIKey	BHZUVAQSXCOSCC-KEBDBYFISA-N
NMR Offset	16.5281
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16539
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: D24937; Labnumber: GRES-02953; SBI_ID: SBI-016542
Synonyms	4-({[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenyl acetate
Temperature	308 °C