2-[[5-[(2-methyl-1-benzimidazolyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester

SpectraBase Compound ID	E0dnr9scmuT
InChI	InChI=1S/C21H21N5O2S/c1-3-28-20(27)14-29-21-24-23-19(26(21)16-9-5-4-6-10-16)13-25-15(2)22-17-11-7-8-12-18(17)25/h4-12H,3,13-14H2,1-2H3
InChIKey	ANJTUWIRUTVMMO-UHFFFAOYSA-N Google Search
Mol Weight	407.49 g/mol
Molecular Formula	C21H21N5O2S
Exact Mass	407.141596 g/mol

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SpectraBase Spectrum ID	IhfRarqO7ZB
Name	2-[[5-[(2-methyl-1-benzimidazolyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester
Alternate Name(s)	2-[[5-[(2-methylbenzimidazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Ethyl 2-[[5-[(2-methylbenzimidazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Ethyl 2-[[5-[(2-methylbenzimidazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H21N5O2S
InChI	InChI=1S/C21H21N5O2S/c1-3-28-20(27)14-29-21-24-23-19(26(21)16-9-5-4-6-10-16)13-25-15(2)22-17-11-7-8-12-18(17)25/h4-12H,3,13-14H2,1-2H3
InChIKey	ANJTUWIRUTVMMO-UHFFFAOYSA-N
Molecular Weight	407.492 g/mol
SMILES	c1(nc2c([n]1Cc1nnc([n]1-c1ccccc1)SCC(=O)OCC)cccc2)C
SPLASH	splash10-0a4i-0510900000-b37218f168aecc9e6b74
Source of Spectrum	Y1-40-165-6
Wiley ID	1528074