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4-{[(E,2Z)-2-chloro-3-phenyl-2-propenylidene]amino}-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 3LjtqOGUjiJ
InChI InChI=1S/C19H17ClN4OS/c1-2-25-17-10-8-15(9-11-17)18-22-23-19(26)24(18)21-13-16(20)12-14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,23,26)/b16-12-,21-13+
InChIKey DNCQPASBVYELSY-WMODRVCGSA-N
Mol Weight 384.89 g/mol
Molecular Formula C19H17ClN4OS
Exact Mass 384.08116 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 60ckT2Yw8LN
Name 4-{[(E,2Z)-2-chloro-3-phenyl-2-propenylidene]amino}-5-(4-ethoxyphenyl)-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/C19H17ClN4OS/c1-2-25-17-10-8-15(9-11-17)18-22-23-19(26)24(18)21-13-16(20)12-14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,23,26)/b16-12-,21-13+
InChIKey DNCQPASBVYELSY-WMODRVCGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16490
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: D25406; Labnumber: GRES-03646; SBI_ID: SBI-016493
Synonyms 4-{[(E,2Z)-2-chloro-3-phenyl-2-propenylidene]amino}-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[2-chloro-3-phenyl-2-propenylidene]amino}-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C