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2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-(4-methylphenyl)hydrazinecarbothioamide

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2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-(4-methylphenyl)hydrazinecarbothioamide
SpectraBase Compound ID 2G3HM2oFSHB
InChI InChI=1S/C29H32N6OS2/c1-19-6-14-23(15-7-19)30-27(37)33-31-25(36)18-38-28-34-32-26(35(28)24-16-8-20(2)9-17-24)21-10-12-22(13-11-21)29(3,4)5/h6-17H,18H2,1-5H3,(H,31,36)(H2,30,33,37)
InChIKey KMRWGTLFIPLKRX-UHFFFAOYSA-N
Mol Weight 544.7 g/mol
Molecular Formula C29H32N6OS2
Exact Mass 544.207902 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Yqncs2hvqb
Name 2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-(4-methylphenyl)hydrazinecarbothioamide
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/C29H32N6OS2/c1-19-6-14-23(15-7-19)30-27(37)33-31-25(36)18-38-28-34-32-26(35(28)24-16-8-20(2)9-17-24)21-10-12-22(13-11-21)29(3,4)5/h6-17H,18H2,1-5H3,(H,31,36)(H2,30,33,37)
InChIKey KMRWGTLFIPLKRX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_630
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: C24582; Labnumber: UGRES-06270; SBI_ID: SBI-000632
Temperature 308 °C