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1,5-Bis(4-amino-5-mercapto-1,2,4-triazol-3-ylsulfanylmethyl)naphthalene
SpectraBase Compound ID AK1zjHOCL17
InChI InChI=1S/C16H16N8S4/c17-23-13(25)19-21-15(23)27-7-9-3-1-5-11-10(4-2-6-12(9)11)8-28-16-22-20-14(26)24(16)18/h1-6H,7-8,17-18H2,(H,19,25)(H,20,26)
InChIKey WYRJZUFCMHWIOB-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C16H16N8S4
Exact Mass 448.038077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1LmxurdhpY
Name 1,5-Bis(4-amino-5-mercapto-1,2,4-triazol-3-ylsulfanylmethyl)naphthalene
Alternate Name(s) 5,5'-((naphthalene-1,5-diylbis(methylene))bis(sulfanediyl))bis(4-amino-4H-1,2,4-triazole-3-thiol)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N8S4
InChI InChI=1S/C16H16N8S4/c17-23-13(25)19-21-15(23)27-7-9-3-1-5-11-10(4-2-6-12(9)11)8-28-16-22-20-14(26)24(16)18/h1-6H,7-8,17-18H2,(H,19,25)(H,20,26)
InChIKey WYRJZUFCMHWIOB-UHFFFAOYSA-N
Molecular Weight 448.600 g/mol
SMILES Sc1[n](c(SCc2c3c(c(CSc4[n](c(nn4)S)N)ccc3)ccc2)nn1)N
SPLASH splash10-08fr-9701000000-490e8e31a862a94025e7
Source of Spectrum Y-51-E180-14e
Wiley ID 1741569