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1,1'-(4-Methyl-1,3-phenylene)bis[3-(5-benzyl-1,3,4-thiadiazol-2-yl)urea]
SpectraBase Compound ID 1cYMYuHFRlM
InChI InChI=1S/C27H24N8O2S2/c1-17-12-13-20(28-24(36)30-26-34-32-22(38-26)14-18-8-4-2-5-9-18)16-21(17)29-25(37)31-27-35-33-23(39-27)15-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3,(H2,28,30,34,36)(H2,29,31,35,37)
InChIKey NWRJRGWDOQXMJX-UHFFFAOYSA-N
Mol Weight 556.66 g/mol
Molecular Formula C27H24N8O2S2
Exact Mass 556.146364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdxvYVsLgot
Name 1,1'-(4-METHYL-1,3-PHENYLENE)BIS[3-(5-BENZYL-1,3,4-THIADIAZOL-2-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H24N8O2S2
InChI InChI=1S/C27H24N8O2S2/c1-17-12-13-20(28-24(36)30-26-34-32-22(38-26)14-18-8-4-2-5-9-18)16-21(17)29-25(37)31-27-35-33-23(39-27)15-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3,(H2,28,30,34,36)(H2,29,31,35,37)
InChIKey NWRJRGWDOQXMJX-UHFFFAOYSA-N
Molecular Weight 556.1460
SMILES N(C(Nc1cc(NC(Nc2sc(Cc3ccccc3)nn2)=O)ccc1C)=O)c1sc(Cc2ccccc2)nn1
SPLASH splash10-0006-9200000000-84d3189c2d266344d7f5
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany