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

SpectraBase Compound ID	A54KX0qZo5j
InChI	InChI=1S/C25H21ClN4O2S/c1-2-16-30-24(18-8-10-19(26)11-9-18)28-29-25(30)33-17-23(31)27-20-12-14-22(15-13-20)32-21-6-4-3-5-7-21/h2-15H,1,16-17H2,(H,27,31)
InChIKey	ODOFSGCIYDUVPR-UHFFFAOYSA-N Google Search
Mol Weight	476.98 g/mol
Molecular Formula	C25H21ClN4O2S
Exact Mass	476.107375 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	AO2UDcbqSjz
Name	2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)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/C25H21ClN4O2S/c1-2-16-30-24(18-8-10-19(26)11-9-18)28-29-25(30)33-17-23(31)27-20-12-14-22(15-13-20)32-21-6-4-3-5-7-21/h2-15H,1,16-17H2,(H,27,31)
InChIKey	ODOFSGCIYDUVPR-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14533
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: D98658; Labnumber: GRES-24411; SBI_ID: SBI-014536
Temperature	308 °C