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2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-(5-methyl-2-furyl)methylidene]acetohydrazide

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2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-(5-methyl-2-furyl)methylidene]acetohydrazide
SpectraBase Compound ID 8S2HqH6OvfG
InChI InChI=1S/C20H21IN6O2S/c1-3-10-27-18(12-22-16-7-5-15(21)6-8-16)24-26-20(27)30-13-19(28)25-23-11-17-9-4-14(2)29-17/h3-9,11,22H,1,10,12-13H2,2H3,(H,25,28)/b23-11+
InChIKey QQWUNFAWPVTRFT-FOKLQQMPSA-N
Mol Weight 536.39 g/mol
Molecular Formula C20H21IN6O2S
Exact Mass 536.04914 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3wXnLes6Tkz
Name 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-(5-methyl-2-furyl)methylidene]acetohydrazide
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/C20H21IN6O2S/c1-3-10-27-18(12-22-16-7-5-15(21)6-8-16)24-26-20(27)30-13-19(28)25-23-11-17-9-4-14(2)29-17/h3-9,11,22H,1,10,12-13H2,2H3,(H,25,28)/b23-11+
InChIKey QQWUNFAWPVTRFT-FOKLQQMPSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16290
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/8094903; UBI_ID: UBI-016293
Synonyms 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylidene]acetohydrazide
Temperature 308 °C