2-{[5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[7-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-2-quinazolinyl]acetamide

SpectraBase Compound ID	4DYKDe1Cmw3
InChI	InChI=1S/C38H32N6O4S/c1-24-8-10-25(11-9-24)27-20-33-32(34(45)21-27)22-39-37(40-33)41-35(46)23-49-38-43-42-36(26-12-16-29(47-2)17-13-26)44(38)28-14-18-31(19-15-28)48-30-6-4-3-5-7-30/h3-19,22,27H,20-21,23H2,1-2H3,(H,39,40,41,46)
InChIKey	HKRLLBHNABOCAJ-UHFFFAOYSA-N Google Search
Mol Weight	668.8 g/mol
Molecular Formula	C38H32N6O4S
Exact Mass	668.220575 g/mol

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SpectraBase Spectrum ID	6DHtaMU61mT
Name	2-{[5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[7-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-2-quinazolinyl]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/C38H32N6O4S/c1-24-8-10-25(11-9-24)27-20-33-32(34(45)21-27)22-39-37(40-33)41-35(46)23-49-38-43-42-36(26-12-16-29(47-2)17-13-26)44(38)28-14-18-31(19-15-28)48-30-6-4-3-5-7-30/h3-19,22,27H,20-21,23H2,1-2H3,(H,39,40,41,46)
InChIKey	HKRLLBHNABOCAJ-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_18026
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: D31625; Labnumber: VGU-0022010; SBI_ID: SBI-018029
Temperature	318 °C