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

SpectraBase Compound ID	KoIXZjyAK0f
InChI	InChI=1S/C15H16N4O3S/c1-3-8-19-10-16-18-15(19)23-9-13(20)17-12-7-5-4-6-11(12)14(21)22-2/h3-7,10H,1,8-9H2,2H3,(H,17,20)
InChIKey	XVPVZSLKYJEDCM-UHFFFAOYSA-N Google Search
Mol Weight	332.38 g/mol
Molecular Formula	C15H16N4O3S
Exact Mass	332.094312 g/mol

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SpectraBase Spectrum ID	LgHx205lM4r
Name	Benzoic acid, 2-[[2-[[4-(2-propenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester
Alternate Name(s)	2-[[1-oxo-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid methyl ester Methyl 2-[[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Methyl 2-[[2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Methyl 2-[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H16N4O3S
InChI	InChI=1S/C15H16N4O3S/c1-3-8-19-10-16-18-15(19)23-9-13(20)17-12-7-5-4-6-11(12)14(21)22-2/h3-7,10H,1,8-9H2,2H3,(H,17,20)
InChIKey	XVPVZSLKYJEDCM-UHFFFAOYSA-N
Molecular Weight	332.378 g/mol
SMILES	N(C(=O)CSc1nnc[n]1CC=C)c1ccccc1C(OC)=O
SPLASH	splash10-0536-7900000000-cdb9633201467aef2d13
Source of Spectrum	IY-2-4732-4
Wiley ID	1655307