2-({4-allyl-5-[(4-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone

SpectraBase Compound ID	FsuI4UcaG6H
InChI	InChI=1S/C20H19ClN4OS/c1-2-12-25-19(13-22-17-10-8-16(21)9-11-17)23-24-20(25)27-14-18(26)15-6-4-3-5-7-15/h2-11,22H,1,12-14H2
InChIKey	QBGUIDVVWGKQRA-UHFFFAOYSA-N Google Search
Mol Weight	398.91 g/mol
Molecular Formula	C20H19ClN4OS
Exact Mass	398.09681 g/mol

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SpectraBase Spectrum ID	KejdpnPsS5Y
Name	2-({4-allyl-5-[(4-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone
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/C20H19ClN4OS/c1-2-12-25-19(13-22-17-10-8-16(21)9-11-17)23-24-20(25)27-14-18(26)15-6-4-3-5-7-15/h2-11,22H,1,12-14H2
InChIKey	QBGUIDVVWGKQRA-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_18110
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/8178949; Labnumber: STA-0010534; UZI_ID: UZI-018117
Temperature	308 °C