methyl 4-{(E)-2-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]ethenyl}phenyl ether

SpectraBase Compound ID	BDL6WmhqvgR
InChI	InChI=1S/C20H18N4O2S/c1-25-14-10-7-13(8-11-14)9-12-17-21-16-6-4-3-5-15(16)18-19(26-17)22-20(27-2)24-23-18/h3-12,17,21H,1-2H3/b12-9+
InChIKey	CIAIXZFKCCIGSU-FMIVXFBMSA-N Google Search
Mol Weight	378.45 g/mol
Molecular Formula	C20H18N4O2S
Exact Mass	378.115047 g/mol

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SpectraBase Spectrum ID	2kZMsxvCqJB
Name	methyl 4-{(E)-2-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]ethenyl}phenyl ether
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/C20H18N4O2S/c1-25-14-10-7-13(8-11-14)9-12-17-21-16-6-4-3-5-15(16)18-19(26-17)22-20(27-2)24-23-18/h3-12,17,21H,1-2H3/b12-9+
InChIKey	CIAIXZFKCCIGSU-FMIVXFBMSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_15945
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/8055201; UBI_ID: UBI-015948
Synonyms	6-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepinemethyl 4-{2-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]ethenyl}phenyl ether
Temperature	308 °C