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ethyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate

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ethyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID 7WqeET348ec
InChI InChI=1S/C25H28N6O3S2/c1-7-34-24(33)21-16(4)17(5)36-23(21)26-20(32)13-35-25-28-27-22(19-12-15(3)29-30(19)6)31(25)18-10-8-14(2)9-11-18/h8-12H,7,13H2,1-6H3,(H,26,32)
InChIKey KDCCLKNKFKMMNP-UHFFFAOYSA-N
Mol Weight 524.66 g/mol
Molecular Formula C25H28N6O3S2
Exact Mass 524.166431 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C2JTDLs1CkH
Name ethyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
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/C25H28N6O3S2/c1-7-34-24(33)21-16(4)17(5)36-23(21)26-20(32)13-35-25-28-27-22(19-12-15(3)29-30(19)6)31(25)18-10-8-14(2)9-11-18/h8-12H,7,13H2,1-6H3,(H,26,32)
InChIKey KDCCLKNKFKMMNP-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11347
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: UZI/1031931; Labnumber: NIV1123; UZI_ID: UZI-011349
Temperature 308 °C