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

SpectraBase Compound ID	6oYE0yKtRe7
InChI	InChI=1S/C25H27ClN6O4S2/c1-14(2)36-24(34)20-16-8-4-5-9-18(16)38-23(20)27-19(33)13-37-25-29-28-22(21-17(26)12-31(3)30-21)32(25)11-15-7-6-10-35-15/h6-7,10,12,14H,4-5,8-9,11,13H2,1-3H3,(H,27,33)
InChIKey	HJLRYEIPRKUOIG-UHFFFAOYSA-N Google Search
Mol Weight	575.1 g/mol
Molecular Formula	C25H27ClN6O4S2
Exact Mass	574.122373 g/mol

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SpectraBase Spectrum ID	7tRhGbILZ8b
Name	isopropyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-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/C25H27ClN6O4S2/c1-14(2)36-24(34)20-16-8-4-5-9-18(16)38-23(20)27-19(33)13-37-25-29-28-22(21-17(26)12-31(3)30-21)32(25)11-15-7-6-10-35-15/h6-7,10,12,14H,4-5,8-9,11,13H2,1-3H3,(H,27,33)
InChIKey	HJLRYEIPRKUOIG-UHFFFAOYSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11336
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/1030677; Labnumber: NIV1112; UZI_ID: UZI-011338
Temperature	308 °C