2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide

SpectraBase Compound ID	3MSwy3azZrF
InChI	InChI=1S/C20H19ClN4OS/c1-3-11-25-19(15-5-4-6-16(21)12-15)23-24-20(25)27-13-18(26)22-17-9-7-14(2)8-10-17/h3-10,12H,1,11,13H2,2H3,(H,22,26)
InChIKey	YKUYIAKWHZRAQF-UHFFFAOYSA-N Google Search
Mol Weight	398.91 g/mol
Molecular Formula	C20H19ClN4OS
Exact Mass	398.09681 g/mol

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SpectraBase Spectrum ID	7Qe5h149gvX
Name	2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)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/C20H19ClN4OS/c1-3-11-25-19(15-5-4-6-16(21)12-15)23-24-20(25)27-13-18(26)22-17-9-7-14(2)8-10-17/h3-10,12H,1,11,13H2,2H3,(H,22,26)
InChIKey	YKUYIAKWHZRAQF-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11141
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: E06142; Labnumber: GRES-16958; SBI_ID: SBI-011144
Temperature	306 °C