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

View entire compound with spectra: 1 NMR

methyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID 8yfPqILRzka
InChI InChI=1S/C18H21ClN6O3S2/c1-6-25-15(14-11(19)7-24(4)23-14)21-22-18(25)29-8-12(26)20-16-13(17(27)28-5)9(2)10(3)30-16/h7H,6,8H2,1-5H3,(H,20,26)
InChIKey XGFLBGGBNGPXME-UHFFFAOYSA-N
Mol Weight 468.98 g/mol
Molecular Formula C18H21ClN6O3S2
Exact Mass 468.080509 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LsOcsZCQvKS
Name methyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-ethyl-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/C18H21ClN6O3S2/c1-6-25-15(14-11(19)7-24(4)23-14)21-22-18(25)29-8-12(26)20-16-13(17(27)28-5)9(2)10(3)30-16/h7H,6,8H2,1-5H3,(H,20,26)
InChIKey XGFLBGGBNGPXME-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20654
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/9311444; UBI_ID: UBI-020658
Temperature 308 °C