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

SpectraBase Compound ID	FWobQ9oaQMe
InChI	InChI=1S/C21H22N4O4S/c1-4-10-25-19(16-9-11-28-12-16)23-24-21(25)30-13-18(26)22-17-7-5-15(6-8-17)20(27)29-14(2)3/h4-9,11-12,14H,1,10,13H2,2-3H3,(H,22,26)
InChIKey	BQJGCBSMDAIWAP-UHFFFAOYSA-N Google Search
Mol Weight	426.49 g/mol
Molecular Formula	C21H22N4O4S
Exact Mass	426.136176 g/mol

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SpectraBase Spectrum ID	8bnij29QoXc
Name	4-[[2-[[4-allyl-5-(3-furyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid isopropyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H22N4O4S
InChI	InChI=1S/C21H22N4O4S/c1-4-10-25-19(16-9-11-28-12-16)23-24-21(25)30-13-18(26)22-17-7-5-15(6-8-17)20(27)29-14(2)3/h4-9,11-12,14H,1,10,13H2,2-3H3,(H,22,26)
InChIKey	BQJGCBSMDAIWAP-UHFFFAOYSA-N
Molecular Weight	426.491 g/mol
SMILES	N(C(CSc1[n](c(nn1)-c1cocc1)CC=C)=O)c1ccc(C(OC(C)C)=O)cc1
SPLASH	splash10-0006-9820000000-13236b572ec13ec96f9a
Synonyms	4-[[2-[[5-(3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester isopropyl 4-[[2-[[4-allyl-5-(3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Propan-2-yl 4-[2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Propan-2-yl 4-[[2-[[5-(furan-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Wiley ID	1442570