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

SpectraBase Compound ID	5SWEA6rm1bx
InChI	InChI=1S/C20H21N5O3S2/c1-3-12-25-19(15-6-4-14(2)5-7-15)23-24-20(25)29-13-18(26)22-16-8-10-17(11-9-16)30(21,27)28/h3-11H,1,12-13H2,2H3,(H,22,26)(H2,21,27,28)
InChIKey	PSCTVWYZZWYNGQ-UHFFFAOYSA-N Google Search
Mol Weight	443.54 g/mol
Molecular Formula	C20H21N5O3S2
Exact Mass	443.108582 g/mol

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SpectraBase Spectrum ID	I9cAEXySzhE
Name	2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(aminosulfonyl)phenyl]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/C20H21N5O3S2/c1-3-12-25-19(15-6-4-14(2)5-7-15)23-24-20(25)29-13-18(26)22-16-8-10-17(11-9-16)30(21,27)28/h3-11H,1,12-13H2,2H3,(H,22,26)(H2,21,27,28)
InChIKey	PSCTVWYZZWYNGQ-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14259
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: D98012; Labnumber: GRES-14308; SBI_ID: SBI-014262
Temperature	308 °C