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4-(4-butylphenyl)-5-(2-thienylmethyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR

4-(4-butylphenyl)-5-(2-thienylmethyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID ItPddIhGVpb
InChI InChI=1S/C17H19N3S2/c1-2-3-5-13-7-9-14(10-8-13)20-16(18-19-17(20)21)12-15-6-4-11-22-15/h4,6-11H,2-3,5,12H2,1H3,(H,19,21)
InChIKey HWJISTMCCXOCBO-UHFFFAOYSA-N
Mol Weight 329.48 g/mol
Molecular Formula C17H19N3S2
Exact Mass 329.10204 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GM0Cp9K7P5q
Name 4-(4-butylphenyl)-5-(2-thienylmethyl)-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/C17H19N3S2/c1-2-3-5-13-7-9-14(10-8-13)20-16(18-19-17(20)21)12-15-6-4-11-22-15/h4,6-11H,2-3,5,12H2,1H3,(H,19,21)
InChIKey HWJISTMCCXOCBO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18030
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: D31631; Labnumber: VGU-0022019; SBI_ID: SBI-018033
Synonyms 4-(4-butylphenyl)-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C