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4-(2-chlorophenyl)-5-(5-methyl-3-phenyl-4-isoxazolyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR

4-(2-chlorophenyl)-5-(5-methyl-3-phenyl-4-isoxazolyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID E0ns0XMZi5b
InChI InChI=1S/C18H13ClN4OS/c1-11-15(16(22-24-11)12-7-3-2-4-8-12)17-20-21-18(25)23(17)14-10-6-5-9-13(14)19/h2-10H,1H3,(H,21,25)
InChIKey AVIUBFYZEGCWIQ-UHFFFAOYSA-N
Mol Weight 368.84 g/mol
Molecular Formula C18H13ClN4OS
Exact Mass 368.04986 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3VyAYy2OzWk
Name 4-(2-chlorophenyl)-5-(5-methyl-3-phenyl-4-isoxazolyl)-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/C18H13ClN4OS/c1-11-15(16(22-24-11)12-7-3-2-4-8-12)17-20-21-18(25)23(17)14-10-6-5-9-13(14)19/h2-10H,1H3,(H,21,25)
InChIKey AVIUBFYZEGCWIQ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2550
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: D03642; Labnumber: NCOBK-0332; SBI_ID: SBI-002552
Synonyms 4-(2-chlorophenyl)-5-(5-methyl-3-phenyl-4-isoxazolyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C