2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide

SpectraBase Compound ID	2qmGcc0hTcV
InChI	InChI=1S/C21H20ClN5OS2/c1-2-27-19(13-6-5-7-14(22)10-13)25-26-21(27)29-12-18(28)24-20-16(11-23)15-8-3-4-9-17(15)30-20/h5-7,10H,2-4,8-9,12H2,1H3,(H,24,28)
InChIKey	XXYWCCKNVBJNEJ-UHFFFAOYSA-N Google Search
Mol Weight	458.0 g/mol
Molecular Formula	C21H20ClN5OS2
Exact Mass	457.07978 g/mol

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SpectraBase Spectrum ID	3ep03iyru1u
Name	2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide
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/C21H20ClN5OS2/c1-2-27-19(13-6-5-7-14(22)10-13)25-26-21(27)29-12-18(28)24-20-16(11-23)15-8-3-4-9-17(15)30-20/h5-7,10H,2-4,8-9,12H2,1H3,(H,24,28)
InChIKey	XXYWCCKNVBJNEJ-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_7540
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: D48091; Labnumber: SPDEM5-39751; SBI_ID: SBI-007543
Temperature	318 °C