3-(butylsulfanyl)-5-(difluoromethyl)-N-((E)-{5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furyl}methylidene)-4H-1,2,4-triazol-4-amine

SpectraBase Compound ID	74uBcrbwTwP
InChI	InChI=1S/C22H24F2N4O2S/c1-2-3-11-31-22-27-26-21(20(23)24)28(22)25-13-18-9-10-19(30-18)14-29-17-8-7-15-5-4-6-16(15)12-17/h7-10,12-13,20H,2-6,11,14H2,1H3/b25-13+
InChIKey	PTJXCVUKMLEYAD-DHRITJCHSA-N Google Search
Mol Weight	446.52 g/mol
Molecular Formula	C22H24F2N4O2S
Exact Mass	446.158804 g/mol

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SpectraBase Spectrum ID	CqKmaryAkJD
Name	3-(butylsulfanyl)-5-(difluoromethyl)-N-((E)-{5-[(2,3-dihydro-1H-inden-5-yloxy)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/C22H24F2N4O2S/c1-2-3-11-31-22-27-26-21(20(23)24)28(22)25-13-18-9-10-19(30-18)14-29-17-8-7-15-5-4-6-16(15)12-17/h7-10,12-13,20H,2-6,11,14H2,1H3/b25-13+
InChIKey	PTJXCVUKMLEYAD-DHRITJCHSA-N
NMR Offset	17.9117
NMR Spectrometer Frequency	500.077
Observed nucleus	1H
Origin	1H_SBI_36227_32180
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: 1844704; SBI_ID: SBI-032184
Synonyms	N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-N-((E)-{5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furyl}methylidene)amine3-(butylsulfanyl)-5-(difluoromethyl)-N-({5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furyl}methylidene)-4H-1,2,4-triazol-4-amine
Temperature	303 °C