3-{[4-allyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-7-chloro-4-(2-chlorophenyl)-2-quinolinol

SpectraBase Compound ID	JdmnKFKhpv
InChI	InChI=1S/C25H17Cl2N5OS/c1-2-12-32-23(15-6-5-11-28-14-15)30-31-25(32)34-22-21(17-7-3-4-8-19(17)27)18-10-9-16(26)13-20(18)29-24(22)33/h2-11,13-14H,1,12H2,(H,29,33)
InChIKey	YHPWUBLZXVIZSM-UHFFFAOYSA-N Google Search
Mol Weight	506.41 g/mol
Molecular Formula	C25H17Cl2N5OS
Exact Mass	505.053087 g/mol

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SpectraBase Spectrum ID	FXGfk7YzbRw
Name	3-{[4-allyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-7-chloro-4-(2-chlorophenyl)-2-quinolinol
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/C25H17Cl2N5OS/c1-2-12-32-23(15-6-5-11-28-14-15)30-31-25(32)34-22-21(17-7-3-4-8-19(17)27)18-10-9-16(26)13-20(18)29-24(22)33/h2-11,13-14H,1,12H2,(H,29,33)
InChIKey	YHPWUBLZXVIZSM-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_13329
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: UZI/9119907; UBI_ID: UBI-013332
Temperature	308 °C