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

SpectraBase Compound ID	7RIgxX5oF5r
InChI	InChI=1S/C16H16F3N7O3S/c1-2-3-6-30-15-23-22-14(16(17,18)19)25(15)21-8-12-4-5-13(29-12)10-24-9-11(7-20-24)26(27)28/h4-5,7-9H,2-3,6,10H2,1H3/b21-8+
InChIKey	NEGGTRIEPGKASJ-ODCIPOBUSA-N Google Search
Mol Weight	443.41 g/mol
Molecular Formula	C16H16F3N7O3S
Exact Mass	443.098743 g/mol

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SpectraBase Spectrum ID	LOcjf8v21l7
Name	3-(butylsulfanyl)-N-((E)-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)-5-(trifluoromethyl)-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/C16H16F3N7O3S/c1-2-3-6-30-15-23-22-14(16(17,18)19)25(15)21-8-12-4-5-13(29-12)10-24-9-11(7-20-24)26(27)28/h4-5,7-9H,2-3,6,10H2,1H3/b21-8+
InChIKey	NEGGTRIEPGKASJ-ODCIPOBUSA-N
NMR Offset	17.9099
NMR Spectrometer Frequency	500.077
Observed nucleus	1H
Origin	1H_SBI_36227_32488
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: 1847825; SBI_ID: SBI-032492
Synonyms	N-[3-(butylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]-N-((E)-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)amine3-(butylsulfanyl)-N-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
Temperature	303 °C