4-[[1-oxo-2-[[1-(2,4,6-Trimethylphenyl)-5-tetrazolyl]thio]ethyl]amino]benzoic acid ethyl ester

SpectraBase Compound ID	1Dla8ynbd05
InChI	InChI=1S/C21H23N5O3S/c1-5-29-20(28)16-6-8-17(9-7-16)22-18(27)12-30-21-23-24-25-26(21)19-14(3)10-13(2)11-15(19)4/h6-11H,5,12H2,1-4H3,(H,22,27)
InChIKey	GOYMSEXNAHYOME-UHFFFAOYSA-N Google Search
Mol Weight	425.51 g/mol
Molecular Formula	C21H23N5O3S
Exact Mass	425.152161 g/mol

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SpectraBase Spectrum ID	FktaqCtcSha
Name	4-[[1-oxo-2-[[1-(2,4,6-Trimethylphenyl)-5-tetrazolyl]thio]ethyl]amino]benzoic acid ethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	425.152160792 u
Formula	C21H23N5O3S
InChI	InChI=1S/C21H23N5O3S/c1-5-29-20(28)16-6-8-17(9-7-16)22-18(27)12-30-21-23-24-25-26(21)19-14(3)10-13(2)11-15(19)4/h6-11H,5,12H2,1-4H3,(H,22,27)
InChIKey	GOYMSEXNAHYOME-UHFFFAOYSA-N
Molecular Weight	425.507 g/mol
SMILES	CCOC(C1=CC=C(NC(CSC=2N(N=NN2)C=2C(=CC(=CC2C)C)C)=O)C=C1)=O