2-Phenyl-5-(ethoxycarbonyl)-7-[(4-methylphenyl)amino]thiadiazaolo[4,5-d][1,3]diazepine

SpectraBase Compound ID	45oo2Hsnwkz
InChI	InChI=1S/C22H20N4O2S/c1-3-28-21(27)17-13-18-19(25-20(29-18)15-7-5-4-6-8-15)26-22(24-17)23-16-11-9-14(2)10-12-16/h4-13H,3H2,1-2H3,(H2,23,24,26)
InChIKey	ABUAIZNXQMXQMF-UHFFFAOYSA-N Google Search
Mol Weight	404.49 g/mol
Molecular Formula	C22H20N4O2S
Exact Mass	404.130697 g/mol

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SpectraBase Spectrum ID	2UU5IncgxOL
Name	2-Phenyl-5-(ethoxycarbonyl)-7-[(4-methylphenyl)amino]thiadiazaolo[4,5-d][1,3]diazepine
Alternate Name(s)	2-Phenyl-7-(ethoxy-carbonyl)-5-[(4-methyl-phenyl)-amino]-thiazolo[4,5-d][1,3]diazepine
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H20N4O2S
InChI	InChI=1S/C22H20N4O2S/c1-3-28-21(27)17-13-18-19(25-20(29-18)15-7-5-4-6-8-15)26-22(24-17)23-16-11-9-14(2)10-12-16/h4-13H,3H2,1-2H3,(H2,23,24,26)
InChIKey	ABUAIZNXQMXQMF-UHFFFAOYSA-N
Molecular Weight	404.488 g/mol
SMILES	N1C(=Cc2sc(nc2N=C1Nc1ccc(cc1)C)-c1ccccc1)C(=O)OCC
SPLASH	splash10-0ue9-0004900000-048e211042c80ad8fc82
Source of Spectrum	J-58-5268-10
Wiley ID	1371233