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N,N'-bis[2-methylene-1,2,4-triazolo[3,4-b]benzothiazol-3-thion]diaminobiphenyl

View entire compound with spectra: 1 MS (GC)

N,N'-bis[2-methylene-1,2,4-triazolo[3,4-b]benzothiazol-3-thion]diaminobiphenyl
SpectraBase Compound ID HEdIybBikXo
InChI InChI=1S/C30H22N8S4/c39-29-35(33-27-37(29)23-5-1-3-7-25(23)41-27)17-31-21-13-9-19(10-14-21)20-11-15-22(16-12-20)32-18-36-30(40)38-24-6-2-4-8-26(24)42-28(38)34-36/h1-16,31-32H,17-18H2
InChIKey YIUJOYXKGQXBHK-UHFFFAOYSA-N
Mol Weight 622.8 g/mol
Molecular Formula C30H22N8S4
Exact Mass 622.085027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGPJiud0BSZ
Name N,N'-bis[2-methylene-1,2,4-triazolo[3,4-b]benzothiazol-3-thion]diaminobiphenyl
Alternate Name(s) 2,2'-(([1,1'-biphenyl]-4,4'-diylbis(azanediyl))bis(methylene))bis(benzo[4,5]thiazolo[2,3-c][1,2,4]triazole-3(2H)-thione)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22N8S4
InChI InChI=1S/C30H22N8S4/c39-29-35(33-27-37(29)23-5-1-3-7-25(23)41-27)17-31-21-13-9-19(10-14-21)20-11-15-22(16-12-20)32-18-36-30(40)38-24-6-2-4-8-26(24)42-28(38)34-36/h1-16,31-32H,17-18H2
InChIKey YIUJOYXKGQXBHK-UHFFFAOYSA-N
Molecular Weight 622.802 g/mol
SMILES N(CN1C(N2c3ccccc3SC2=N1)=S)c1ccc(-c2ccc(NCN3C(N4c5c(SC4=N3)cccc5)=S)cc2)cc1
SPLASH splash10-0a4i-0390000000-1fbd5b9addedab5d0c99
Source of Spectrum CJC-20-383-6
Wiley ID 1773652