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

SpectraBase Compound ID	Abio2RmRfHq
InChI	InChI=1S/C20H17ClN4O3S/c1-2-9-25-19(13-3-5-14(21)6-4-13)23-24-20(25)29-11-18(26)22-15-7-8-16-17(10-15)28-12-27-16/h2-8,10H,1,9,11-12H2,(H,22,26)
InChIKey	RLZJXILQUNOSAJ-UHFFFAOYSA-N Google Search
Mol Weight	428.89 g/mol
Molecular Formula	C20H17ClN4O3S
Exact Mass	428.070989 g/mol

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SpectraBase Spectrum ID	6P7ftt4noUG
Name	2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-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/C20H17ClN4O3S/c1-2-9-25-19(13-3-5-14(21)6-4-13)23-24-20(25)29-11-18(26)22-15-7-8-16-17(10-15)28-12-27-16/h2-8,10H,1,9,11-12H2,(H,22,26)
InChIKey	RLZJXILQUNOSAJ-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4097
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: D98557; Labnumber: GRES-22762; SBI_ID: SBI-004099
Temperature	318 °C