3-(4-tert-butyl-phenoxymethyl)-6-(4-chloro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

SpectraBase Compound ID	9ET1pepd1RX
InChI	InChI=1S/C21H21ClN4OS/c1-21(2,3)15-6-10-17(11-7-15)27-12-19-23-24-20-26(19)25-18(13-28-20)14-4-8-16(22)9-5-14/h4-11H,12-13H2,1-3H3
InChIKey	UGLCBRNFHHQKNM-UHFFFAOYSA-N Google Search
Mol Weight	412.94 g/mol
Molecular Formula	C21H21ClN4OS
Exact Mass	412.11246 g/mol

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SpectraBase Spectrum ID	FmCgFai6TXe
Name	3-(4-tert-butyl-phenoxymethyl)-6-(4-chloro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H21ClN4OS
InChI	InChI=1S/C21H21ClN4OS/c1-21(2,3)15-6-10-17(11-7-15)27-12-19-23-24-20-26(19)25-18(13-28-20)14-4-8-16(22)9-5-14/h4-11H,12-13H2,1-3H3
InChIKey	UGLCBRNFHHQKNM-UHFFFAOYSA-N
Molecular Weight	412.939 g/mol
SMILES	CC(c1ccc(OCc2[n]3N=C(c4ccc(cc4)Cl)CSc3nn2)cc1)(C)C
SPLASH	splash10-01u0-9220000000-ba96bb303fa2c811d1e0
Synonyms	4-tert-Butylphenyl[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl ether
Wiley ID	1466193