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5-(6'-Nitrobenzimidazole-1-ylmethyl)-3-mercapto-4-amino-1,2,4-triazole

View entire compound with spectra: 1 MS (GC)

5-(6'-Nitrobenzimidazole-1-ylmethyl)-3-mercapto-4-amino-1,2,4-triazole
SpectraBase Compound ID CC5TwDPHsWU
InChI InChI=1S/C10H9N7O2S/c11-16-9(13-14-10(16)20)4-15-5-12-7-2-1-6(17(18)19)3-8(7)15/h1-3,5H,4,11H2,(H,14,20)
InChIKey WSXPCLTWHDSHLZ-UHFFFAOYSA-N
Mol Weight 291.29 g/mol
Molecular Formula C10H9N7O2S
Exact Mass 291.053844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 229Qm23L4JQ
Name 5-(6'-Nitrobenzimidazole-1-ylmethyl)-3-mercapto-4-amino-1,2,4-triazole
Alternate Name(s) 4-Amino-5-[(6-nitro-1H-benzimidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl hydrosulfide 4-Amino-5-[(6-nitro-1H-benzimidazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
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Formula C10H9N7O2S
InChI InChI=1S/C10H9N7O2S/c11-16-9(13-14-10(16)20)4-15-5-12-7-2-1-6(17(18)19)3-8(7)15/h1-3,5H,4,11H2,(H,14,20)
InChIKey WSXPCLTWHDSHLZ-UHFFFAOYSA-N
Molecular Weight 291.289 g/mol
SMILES Sc1nnc([n]1N)C[n]1c2cc(N(=O)=O)ccc2nc1
SPLASH splash10-0006-9340000000-369131aea3c7820a88cc
Source of Spectrum Y1-37-127-5
Wiley ID 1527251