ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SpectraBase Compound ID	G9xkEGbIu79
InChI	InChI=1S/C28H31ClN6O3S2/c1-5-17-10-11-19-21(13-17)40-26(23(19)27(37)38-6-2)30-22(36)15-39-28-32-31-25(24-20(29)14-34(4)33-24)35(28)18-9-7-8-16(3)12-18/h7-9,12,14,17H,5-6,10-11,13,15H2,1-4H3,(H,30,36)
InChIKey	WGYFOCDJQNZXNO-UHFFFAOYSA-N Google Search
Mol Weight	599.17 g/mol
Molecular Formula	C28H31ClN6O3S2
Exact Mass	598.158759 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	HWnZV8Th8PF
Name	ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C28H31ClN6O3S2/c1-5-17-10-11-19-21(13-17)40-26(23(19)27(37)38-6-2)30-22(36)15-39-28-32-31-25(24-20(29)14-34(4)33-24)35(28)18-9-7-8-16(3)12-18/h7-9,12,14,17H,5-6,10-11,13,15H2,1-4H3,(H,30,36)
InChIKey	WGYFOCDJQNZXNO-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11423
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/1264779; Labnumber: NIV1243; UZI_ID: UZI-011425
Temperature	308 °C