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2-{[4-allyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-nitro-2-thienyl)methylidene]propanohydrazide

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2-{[4-allyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-nitro-2-thienyl)methylidene]propanohydrazide
SpectraBase Compound ID 5VRqHihIuQW
InChI InChI=1S/C21H23N7O3S2/c1-4-11-27-18(13-22-16-7-5-14(2)6-8-16)24-26-21(27)32-15(3)20(29)25-23-12-17-9-10-19(33-17)28(30)31/h4-10,12,15,22H,1,11,13H2,2-3H3,(H,25,29)/b23-12+
InChIKey UJCMGGRJXIYKJR-FSJBWODESA-N
Mol Weight 485.58 g/mol
Molecular Formula C21H23N7O3S2
Exact Mass 485.13038 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BaSwV0WwYUa
Name 2-{[4-allyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-nitro-2-thienyl)methylidene]propanohydrazide
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/C21H23N7O3S2/c1-4-11-27-18(13-22-16-7-5-14(2)6-8-16)24-26-21(27)32-15(3)20(29)25-23-12-17-9-10-19(33-17)28(30)31/h4-10,12,15,22H,1,11,13H2,2-3H3,(H,25,29)/b23-12+
InChIKey UJCMGGRJXIYKJR-FSJBWODESA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16422
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: UZI/8117381; UBI_ID: UBI-016425
Synonyms 2-{[4-allyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(5-nitro-2-thienyl)methylidene]propanohydrazide
Temperature 308 °C