5-[({7-benzyl-2,4,5,7-tetraazatricyclo[6.4.0.0(2,6)]dodeca-1(8),3,5,9,11-pentaen-3-yl}sulfanyl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

SpectraBase Compound ID	Dgqjnm8mgzh
InChI	InChI=1S/C25H20N6OS/c1-17-11-13-19(14-12-17)23-26-22(32-29-23)16-33-25-28-27-24-30(15-18-7-3-2-4-8-18)20-9-5-6-10-21(20)31(24)25/h2-14H,15-16H2,1H3
InChIKey	HFCLPANSQREION-UHFFFAOYSA-N Google Search
Mol Weight	452.54 g/mol
Molecular Formula	C25H20N6OS
Exact Mass	452.14193 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	EEWV8nNXEcx
Name	5-[({7-benzyl-2,4,5,7-tetraazatricyclo[6.4.0.0(2,6)]dodeca-1(8),3,5,9,11-pentaen-3-yl}sulfanyl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H20N6OS
InChI	InChI=1S/C25H20N6OS/c1-17-11-13-19(14-12-17)23-26-22(32-29-23)16-33-25-28-27-24-30(15-18-7-3-2-4-8-18)20-9-5-6-10-21(20)31(24)25/h2-14H,15-16H2,1H3
InChIKey	HFCLPANSQREION-UHFFFAOYSA-N
Molecular Weight	452.536 g/mol
SMILES	c12[n](c(SCc3nc(-c4ccc(cc4)C)no3)nn1)-c1ccccc1N2Cc1ccccc1
SPLASH	splash10-0006-9220000000-9c4e11bb4f9e3032dfbc
Source of Spectrum	IY-2-5019-0
Synonyms	9H-[1,2,4]Triazolo[4,3-a][1,3]benzimidazole, 3-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thio]-9-(phenylmethyl)- 3-(4-Methylphenyl)-5-[[[4-(phenylmethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]thio]methyl]-1,2,4-oxadiazole 5-[(4-benzyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole 5-[(4-benzyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanylmethyl]-3-(p-tolyl)-1,2,4-oxadiazole 3-(4-Methylphenyl)-5-[[4-(phenylmethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanylmethyl]-1,2,4-oxadiazole
Wiley ID	1658173