benzoic acid, 3-[[[5-(2-furanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]-, methyl ester

SpectraBase Compound ID	BOSMTYWnc8M
InChI	InChI=1S/C21H17N3O3S/c1-26-20(25)16-8-5-7-15(13-16)14-28-21-23-22-19(18-11-6-12-27-18)24(21)17-9-3-2-4-10-17/h2-13H,14H2,1H3
InChIKey	WPBWTLIGRHVFAF-UHFFFAOYSA-N Google Search
Mol Weight	391.45 g/mol
Molecular Formula	C21H17N3O3S
Exact Mass	391.099063 g/mol

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SpectraBase Spectrum ID	7nP2HuDRZuq
Name	3-[[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester
Alternate Name(s)	3-[[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Methyl 3-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Methyl 3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H17N3O3S
InChI	InChI=1S/C21H17N3O3S/c1-26-20(25)16-8-5-7-15(13-16)14-28-21-23-22-19(18-11-6-12-27-18)24(21)17-9-3-2-4-10-17/h2-13H,14H2,1H3
InChIKey	WPBWTLIGRHVFAF-UHFFFAOYSA-N
Molecular Weight	391.445 g/mol
SMILES	c1ccc(-[n]2c(nnc2SCc2cc(C(=O)OC)ccc2)-c2occc2)cc1
SPLASH	splash10-00mp-5952000000-d52d5f9872bb90fe12e8
Wiley ID	1452956