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

SpectraBase Compound ID	KPHFW5ovYMJ
InChI	InChI=1S/C14H13F2N7O3S/c1-2-27-14-20-19-13(12(15)16)22(14)18-6-10-3-4-11(26-10)8-21-7-9(5-17-21)23(24)25/h3-7,12H,2,8H2,1H3/b18-6+
InChIKey	ZIJWPHPJBPGMMX-NGYBGAFCSA-N Google Search
Mol Weight	397.36 g/mol
Molecular Formula	C14H13F2N7O3S
Exact Mass	397.076865 g/mol

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SpectraBase Spectrum ID	KJbLyNKm3XT
Name	3-(difluoromethyl)-5-(ethylsulfanyl)-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/C14H13F2N7O3S/c1-2-27-14-20-19-13(12(15)16)22(14)18-6-10-3-4-11(26-10)8-21-7-9(5-17-21)23(24)25/h3-7,12H,2,8H2,1H3/b18-6+
InChIKey	ZIJWPHPJBPGMMX-NGYBGAFCSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_31156
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: 1736797; SBI_ID: SBI-031160
Synonyms	N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-N-((E)-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)amine3-(difluoromethyl)-5-(ethylsulfanyl)-N-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)-4H-1,2,4-triazol-4-amine
Temperature	318 °C