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1,4-Bis(4-amino-5-mercapto-1,2,4-triazol-3-ylsulfanyl)benzene
SpectraBase Compound ID J0Kbp2lEklb
InChI InChI=1S/C12H14N8S4/c13-19-9(21)15-17-11(19)23-5-7-1-2-8(4-3-7)6-24-12-18-16-10(22)20(12)14/h1-4H,5-6,13-14H2,(H,15,21)(H,16,22)
InChIKey VNYSBRBOLYDTMI-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C12H14N8S4
Exact Mass 398.022427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlcW1OoA5yi
Name 1,4-Bis(4-amino-5-mercapto-1,2,4-triazol-3-ylsulfanyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N8S4
InChI InChI=1S/C12H14N8S4/c13-19-9(21)15-17-11(19)23-5-7-1-2-8(4-3-7)6-24-12-18-16-10(22)20(12)14/h1-4H,5-6,13-14H2,(H,15,21)(H,16,22)
InChIKey VNYSBRBOLYDTMI-UHFFFAOYSA-N
Molecular Weight 398.540 g/mol
SMILES Sc1[n](c(SCc2ccc(CSc3[n](c(nn3)S)N)cc2)nn1)N
SPLASH splash10-0ce9-9111000000-21948cf5d9f9be77f4e2
Source of Spectrum Y-51-E180-14c
Synonyms 1,4-Bis(4-amino-5-mercapto-1,2,4-triazol-3-ylsulfanylmethyl)benzene 5,5'-((1,4-phenylenebis(methylene))bis(sulfanediyl))bis(4-amino-4H-1,2,4-triazole-3-thiol)
Wiley ID 1741570