N-(4-sec-butylphenyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

SpectraBase Compound ID	F4e6sadD1Oe
InChI	InChI=1S/C25H25N5OS/c1-3-18(2)19-11-13-21(14-12-19)27-23(31)17-32-25-29-28-24(20-8-7-15-26-16-20)30(25)22-9-5-4-6-10-22/h4-16,18H,3,17H2,1-2H3,(H,27,31)
InChIKey	PWMVKSMWFUOOTF-UHFFFAOYSA-N Google Search
Mol Weight	443.57 g/mol
Molecular Formula	C25H25N5OS
Exact Mass	443.177982 g/mol

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SpectraBase Spectrum ID	2bCTFroRXO7
Name	N-(4-sec-butylphenyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C25H25N5OS/c1-3-18(2)19-11-13-21(14-12-19)27-23(31)17-32-25-29-28-24(20-8-7-15-26-16-20)30(25)22-9-5-4-6-10-22/h4-16,18H,3,17H2,1-2H3,(H,27,31)
InChIKey	PWMVKSMWFUOOTF-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_27365
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: D76288; Labnumber: MOR-8639; SBI_ID: SBI-027369
Temperature	315 °C