5-[(1R,2R)-2-phenylcyclopropyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol

SpectraBase Compound ID	LPqnVQp9dEn
InChI	InChI=1S/C18H14F3N3S/c19-18(20,21)12-7-4-8-13(9-12)24-16(22-23-17(24)25)15-10-14(15)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H,23,25)
InChIKey	LBXODMQZEUUVDI-UHFFFAOYSA-N Google Search
Mol Weight	361.39 g/mol
Molecular Formula	C18H14F3N3S
Exact Mass	361.086053 g/mol

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SpectraBase Spectrum ID	AsacQbGVz0W
Name	5-[(1R,2R)-2-phenylcyclopropyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
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/C18H14F3N3S/c19-18(20,21)12-7-4-8-13(9-12)24-16(22-23-17(24)25)15-10-14(15)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H,23,25)
InChIKey	LBXODMQZEUUVDI-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_2542
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: D03625; Labnumber: NCOBK-0135; SBI_ID: SBI-002544
Synonyms	5-[(1R,2R)-2-phenylcyclopropyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl hydrosulfide5-[2-phenylcyclopropyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
Temperature	308 °C