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ethyl [({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]acetate

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ethyl [({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]acetate
SpectraBase Compound ID 86RJGzzxEF6
InChI InChI=1S/C20H19ClN4O3S/c1-2-28-18(27)12-22-17(26)13-29-20-24-23-19(15-10-6-7-11-16(15)21)25(20)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,22,26)
InChIKey LCJDVMFLPJFBHS-UHFFFAOYSA-N
Mol Weight 430.91 g/mol
Molecular Formula C20H19ClN4O3S
Exact Mass 430.086639 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 900WhiQJd3k
Name ethyl [({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]acetate
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/C20H19ClN4O3S/c1-2-28-18(27)12-22-17(26)13-29-20-24-23-19(15-10-6-7-11-16(15)21)25(20)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,22,26)
InChIKey LCJDVMFLPJFBHS-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4349
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: D98862; Labnumber: GRES-27493; SBI_ID: SBI-004351
Temperature 306 °C