Benzoic acid, 2-[[2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl]amino]-, methyl ester

SpectraBase Compound ID	9TfHg3qiM8c
InChI	InChI=1S/C19H18N4O3S/c1-13-21-22-19(23(13)14-8-4-3-5-9-14)27-12-17(24)20-16-11-7-6-10-15(16)18(25)26-2/h3-11H,12H2,1-2H3,(H,20,24)
InChIKey	DAKOJRFWMDWVBM-UHFFFAOYSA-N Google Search
Mol Weight	382.44 g/mol
Molecular Formula	C19H18N4O3S
Exact Mass	382.109962 g/mol

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SpectraBase Spectrum ID	4oCnjFCZmYa
Name	Benzoic acid, 2-[[2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl]amino]-, methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	382.109961627 u
Formula	C19H18N4O3S
InChI	InChI=1S/C19H18N4O3S/c1-13-21-22-19(23(13)14-8-4-3-5-9-14)27-12-17(24)20-16-11-7-6-10-15(16)18(25)26-2/h3-11H,12H2,1-2H3,(H,20,24)
InChIKey	DAKOJRFWMDWVBM-UHFFFAOYSA-N
Molecular Weight	382.438 g/mol
SMILES	COC(=O)C1=CC=CC=C1NC(CSC1=NN=C(N1C1=CC=CC=C1)C)=O