4-[[2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester

SpectraBase Compound ID	IH84ktWxSOq
InChI	InChI=1S/C20H20N4O4S/c1-3-11-24-18(16-6-5-12-28-16)22-23-20(24)29-13-17(25)21-15-9-7-14(8-10-15)19(26)27-4-2/h3,5-10,12H,1,4,11,13H2,2H3,(H,21,25)
InChIKey	ILXKBAPEORCCKI-UHFFFAOYSA-N Google Search
Mol Weight	412.46 g/mol
Molecular Formula	C20H20N4O4S
Exact Mass	412.120526 g/mol

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SpectraBase Spectrum ID	8FZLUVD2uvf
Name	4-[[2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H20N4O4S
InChI	InChI=1S/C20H20N4O4S/c1-3-11-24-18(16-6-5-12-28-16)22-23-20(24)29-13-17(25)21-15-9-7-14(8-10-15)19(26)27-4-2/h3,5-10,12H,1,4,11,13H2,2H3,(H,21,25)
InChIKey	ILXKBAPEORCCKI-UHFFFAOYSA-N
Molecular Weight	412.464 g/mol
SMILES	N(C(CSc1[n](c(nn1)-c1occc1)CC=C)=O)c1ccc(C(=O)OCC)cc1
SPLASH	splash10-01ox-9840000000-2ea3481f522b472168c0
Synonyms	4-[[2-[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester Ethyl 4-[2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Ethyl 4-[[2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Ethyl 4-[[2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Wiley ID	1462845