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9,10-Bis(4-amino-5-mercapto-1,2,4-triazol-3-ylsulfanylmethyl)anthracene
SpectraBase Compound ID 5pxinXWxn0J
InChI InChI=1S/C20H18N8S4/c21-27-17(29)23-25-19(27)31-9-15-11-5-1-2-6-12(11)16(14-8-4-3-7-13(14)15)10-32-20-26-24-18(30)28(20)22/h1-8H,9-10,21-22H2,(H,23,29)(H,24,30)
InChIKey DCTNJIPKZQMUKQ-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C20H18N8S4
Exact Mass 498.053727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36IPWP31n7b
Name 9,10-Bis(4-amino-5-mercapto-1,2,4-triazol-3-ylsulfanylmethyl)anthracene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N8S4
InChI InChI=1S/C20H18N8S4/c21-27-17(29)23-25-19(27)31-9-15-11-5-1-2-6-12(11)16(14-8-4-3-7-13(14)15)10-32-20-26-24-18(30)28(20)22/h1-8H,9-10,21-22H2,(H,23,29)(H,24,30)
InChIKey DCTNJIPKZQMUKQ-UHFFFAOYSA-N
Molecular Weight 498.660 g/mol
SMILES Sc1[n](c(SCc2c3c(c(CSc4[n](c(nn4)S)N)c4c2cccc4)cccc3)nn1)N
SPLASH splash10-02u0-9160000000-f72563574830f91a8ba3
Source of Spectrum Y-51-E180-14f
Synonyms 5,5'-((anthracene-9,10-diylbis(methylene))bis(sulfanediyl))bis(4-amino-4H-1,2,4-triazole-3-thiol)
Wiley ID 1741568