benzoic acid, 4-[[[[4-(2-propenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, 1-methylethyl ester

SpectraBase Compound ID	4MHWL67S56R
InChI	InChI=1S/C22H23N5O3S/c1-4-12-27-20(17-6-5-11-23-13-17)25-26-22(27)31-14-19(28)24-18-9-7-16(8-10-18)21(29)30-15(2)3/h4-11,13,15H,1,12,14H2,2-3H3,(H,24,28)
InChIKey	IYQXZMVJVZERLQ-UHFFFAOYSA-N Google Search
Mol Weight	437.52 g/mol
Molecular Formula	C22H23N5O3S
Exact Mass	437.152161 g/mol

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SpectraBase Spectrum ID	AWlMk0qiMoH
Name	benzoic acid, 4-[[[[4-(2-propenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, 1-methylethyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	437.152160792 u
Formula	C22H23N5O3S
InChI	InChI=1S/C22H23N5O3S/c1-4-12-27-20(17-6-5-11-23-13-17)25-26-22(27)31-14-19(28)24-18-9-7-16(8-10-18)21(29)30-15(2)3/h4-11,13,15H,1,12,14H2,2-3H3,(H,24,28)
InChIKey	IYQXZMVJVZERLQ-UHFFFAOYSA-N
Molecular Weight	437.518 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_14641
Solvent	DMSO-d6
Source	Vendor ID: NMR/10320420; Lab Info: SAD; Lab Number: SAD-dast032