3-(2-furyl)-5-(methylsulfanyl)-N-((E)-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)-4H-1,2,4-triazol-4-amine

SpectraBase Compound ID	JuQ8kgiem
InChI	InChI=1S/C16H13N7O4S/c1-28-16-20-19-15(14-3-2-6-26-14)22(16)18-8-12-4-5-13(27-12)10-21-9-11(7-17-21)23(24)25/h2-9H,10H2,1H3/b18-8+
InChIKey	RYLPMVZMCWBTFW-QGMBQPNBSA-N Google Search
Mol Weight	399.39 g/mol
Molecular Formula	C16H13N7O4S
Exact Mass	399.074973 g/mol

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SpectraBase Spectrum ID	GrOnHhQhDW8
Name	3-(2-furyl)-5-(methylsulfanyl)-N-((E)-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)-4H-1,2,4-triazol-4-amine
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/C16H13N7O4S/c1-28-16-20-19-15(14-3-2-6-26-14)22(16)18-8-12-4-5-13(27-12)10-21-9-11(7-17-21)23(24)25/h2-9H,10H2,1H3/b18-8+
InChIKey	RYLPMVZMCWBTFW-QGMBQPNBSA-N
NMR Offset	17.9105
NMR Spectrometer Frequency	500.077
Observed nucleus	1H
Origin	1H_SBI_36227_31090
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: 1731053; SBI_ID: SBI-031094
Synonyms	N-[3-(2-furyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-N-((E)-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)amine3-(2-furyl)-5-(methylsulfanyl)-N-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)-4H-1,2,4-triazol-4-amine
Temperature	303 °C