3-(butylsulfanyl)-N-[(E)-(4-chlorophenyl)methylidene]-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine

SpectraBase Compound ID	Dqv36yhmixd
InChI	InChI=1S/C14H15ClF2N4S/c1-2-3-8-22-14-20-19-13(12(16)17)21(14)18-9-10-4-6-11(15)7-5-10/h4-7,9,12H,2-3,8H2,1H3/b18-9+
InChIKey	MPKOJCUKGHXDMG-GIJQJNRQSA-N Google Search
Mol Weight	344.81 g/mol
Molecular Formula	C14H15ClF2N4S
Exact Mass	344.067402 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	6OAje6Ea6CI
Name	3-(butylsulfanyl)-N-[(E)-(4-chlorophenyl)methylidene]-5-(difluoromethyl)-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/C14H15ClF2N4S/c1-2-3-8-22-14-20-19-13(12(16)17)21(14)18-9-10-4-6-11(15)7-5-10/h4-7,9,12H,2-3,8H2,1H3/b18-9+
InChIKey	MPKOJCUKGHXDMG-GIJQJNRQSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_31972
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: 1844416; SBI_ID: SBI-031976
Synonyms	N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-N-[(E)-(4-chlorophenyl)methylidene]amine3-(butylsulfanyl)-N-[(4-chlorophenyl)methylidene]-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine
Temperature	318 °C