4-[[1-oxo-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid propan-2-yl ester

SpectraBase Compound ID	7TBMQKHz0RG
InChI	InChI=1S/C21H22N4O3S2/c1-4-11-25-19(17-6-5-12-29-17)23-24-21(25)30-13-18(26)22-16-9-7-15(8-10-16)20(27)28-14(2)3/h4-10,12,14H,1,11,13H2,2-3H3,(H,22,26)
InChIKey	FETGTADJWBXPAL-UHFFFAOYSA-N Google Search
Mol Weight	442.55 g/mol
Molecular Formula	C21H22N4O3S2
Exact Mass	442.113333 g/mol

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SpectraBase Spectrum ID	8dYzJn3j42f
Name	4-[[1-oxo-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid propan-2-yl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H22N4O3S2
InChI	InChI=1S/C21H22N4O3S2/c1-4-11-25-19(17-6-5-12-29-17)23-24-21(25)30-13-18(26)22-16-9-7-15(8-10-16)20(27)28-14(2)3/h4-10,12,14H,1,11,13H2,2-3H3,(H,22,26)
InChIKey	FETGTADJWBXPAL-UHFFFAOYSA-N
Molecular Weight	442.552 g/mol
SMILES	N(C(CSc1[n](c(nn1)-c1sccc1)CC=C)=O)c1ccc(C(OC(C)C)=O)cc1
SPLASH	splash10-0006-9740000000-927e7653bb496386e859
Synonyms	4-[[2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid isopropyl ester isopropyl 4-[[2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Propan-2-yl 4-[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Propan-2-yl 4-[[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Wiley ID	1442577