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2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-{[2-(2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide

View entire compound with spectra: 1 NMR

2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-{[2-(2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
SpectraBase Compound ID FdcHoq2q1fG
InChI InChI=1S/C31H22ClN7O4S3/c32-22-11-5-4-10-21(22)29-36-37-30(38(29)20-8-2-1-3-9-20)44-17-27(40)33-19-14-15-24-26(16-19)46-31(35-24)45-18-28(41)34-23-12-6-7-13-25(23)39(42)43/h1-16H,17-18H2,(H,33,40)(H,34,41)
InChIKey XDKKWYJLQYDAAM-UHFFFAOYSA-N
Mol Weight 688.19 g/mol
Molecular Formula C31H22ClN7O4S3
Exact Mass 687.058393 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1V87IPZpPiu
Name 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-{[2-(2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
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/C31H22ClN7O4S3/c32-22-11-5-4-10-21(22)29-36-37-30(38(29)20-8-2-1-3-9-20)44-17-27(40)33-19-14-15-24-26(16-19)46-31(35-24)45-18-28(41)34-23-12-6-7-13-25(23)39(42)43/h1-16H,17-18H2,(H,33,40)(H,34,41)
InChIKey XDKKWYJLQYDAAM-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3913
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: NMR/8325834; Labnumber: LP-0607009; IOH_ID: IOH-003914
Temperature 303 °C