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4-{[(E)-(2,3-dichlorophenyl)methylidene]amino}-5-[4-(dimethylamino)phenyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 99DqY97dkzl
InChI InChI=1S/C17H15Cl2N5S/c1-23(2)13-8-6-11(7-9-13)16-21-22-17(25)24(16)20-10-12-4-3-5-14(18)15(12)19/h3-10H,1-2H3,(H,22,25)/b20-10+
InChIKey PHGHQMNQINSSDO-KEBDBYFISA-N
Mol Weight 392.31 g/mol
Molecular Formula C17H15Cl2N5S
Exact Mass 391.042522 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CvTZwfI8zZi
Name 4-{[(E)-(2,3-dichlorophenyl)methylidene]amino}-5-[4-(dimethylamino)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/C17H15Cl2N5S/c1-23(2)13-8-6-11(7-9-13)16-21-22-17(25)24(16)20-10-12-4-3-5-14(18)15(12)19/h3-10H,1-2H3,(H,22,25)/b20-10+
InChIKey PHGHQMNQINSSDO-KEBDBYFISA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16937
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: D25295; Labnumber: GRES-03355; SBI_ID: SBI-016940
Synonyms 4-{[(E)-(2,3-dichlorophenyl)methylidene]amino}-5-[4-(dimethylamino)phenyl]-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(2,3-dichlorophenyl)methylidene]amino}-5-[4-(dimethylamino)phenyl]-4H-1,2,4-triazole-3-thiol
Temperature 315 °C