2-{[4-allyl-5-(10H-phenothiazin-10-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone

SpectraBase Compound ID	41fFuaoPqcu
InChI	InChI=1S/C26H21ClN4OS2/c1-2-15-30-25(28-29-26(30)33-17-22(32)18-11-13-19(27)14-12-18)16-31-20-7-3-5-9-23(20)34-24-10-6-4-8-21(24)31/h2-14H,1,15-17H2
InChIKey	HBJKDBJIJXJWGB-UHFFFAOYSA-N Google Search
Mol Weight	505.05 g/mol
Molecular Formula	C26H21ClN4OS2
Exact Mass	504.084531 g/mol

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SpectraBase Spectrum ID	GKBuAZSAYGh
Name	2-{[4-allyl-5-(10H-phenothiazin-10-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
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/C26H21ClN4OS2/c1-2-15-30-25(28-29-26(30)33-17-22(32)18-11-13-19(27)14-12-18)16-31-20-7-3-5-9-23(20)34-24-10-6-4-8-21(24)31/h2-14H,1,15-17H2
InChIKey	HBJKDBJIJXJWGB-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_13982
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: MAY-13/0041; UBI_ID: UBI-013985
Temperature	318 °C