(2E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-propenenitrile

SpectraBase Compound ID	A7LmkuMEXzM
InChI	InChI=1S/C21H14BrN3O3S/c1-12(26)16-6-19-20(28-11-27-19)7-17(16)24-9-14(8-23)21-25-18(10-29-21)13-3-2-4-15(22)5-13/h2-7,9-10,24H,11H2,1H3/b14-9+
InChIKey	UZNFGASYMRWZOT-NTEUORMPSA-N Google Search
Mol Weight	468.33 g/mol
Molecular Formula	C21H14BrN3O3S
Exact Mass	466.993925 g/mol

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SpectraBase Spectrum ID	1Fz1lzthCpo
Name	(2E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-propenenitrile
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/C21H14BrN3O3S/c1-12(26)16-6-19-20(28-11-27-19)7-17(16)24-9-14(8-23)21-25-18(10-29-21)13-3-2-4-15(22)5-13/h2-7,9-10,24H,11H2,1H3/b14-9+
InChIKey	UZNFGASYMRWZOT-NTEUORMPSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_4464
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: 120473; Labnumber: ULGAP-05-5374; VK_ID: VK-004465
Synonyms	3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-propenenitrile
Temperature	318 °C