ethyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-4-yl)-4-(4-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	K7BYAjxNL9f
InChI	InChI=1S/C29H34N6O3S2/c1-6-19-10-13-21-23(14-19)40-27(25(21)28(37)38-7-2)30-24(36)16-39-29-32-31-26(22-15-34(5)33-18(22)4)35(29)20-11-8-17(3)9-12-20/h8-9,11-12,15,19H,6-7,10,13-14,16H2,1-5H3,(H,30,36)
InChIKey	DSNCOIVDGXLGQE-UHFFFAOYSA-N Google Search
Mol Weight	578.8 g/mol
Molecular Formula	C29H34N6O3S2
Exact Mass	578.213381 g/mol

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SpectraBase Spectrum ID	AcxYvidAkgy
Name	ethyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-4-yl)-4-(4-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/C29H34N6O3S2/c1-6-19-10-13-21-23(14-19)40-27(25(21)28(37)38-7-2)30-24(36)16-39-29-32-31-26(22-15-34(5)33-18(22)4)35(29)20-11-8-17(3)9-12-20/h8-9,11-12,15,19H,6-7,10,13-14,16H2,1-5H3,(H,30,36)
InChIKey	DSNCOIVDGXLGQE-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11435
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/1031053; Labnumber: NIV1261; UZI_ID: UZI-011437
Temperature	308 °C