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5-(6-Nitro-benzoimidazol-1-ylmethyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID 7XOADRGrEQm
InChI InChI=1S/C16H12N6O2S/c23-22(24)12-6-7-13-14(8-12)20(10-17-13)9-15-18-19-16(25)21(15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,19,25)
InChIKey AOGLEAIPCLGJER-UHFFFAOYSA-N
Mol Weight 352.37 g/mol
Molecular Formula C16H12N6O2S
Exact Mass 352.074245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8WSAy8wVR4
Name 5-(6-Nitro-benzoimidazol-1-ylmethyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol
Alternate Name(s) 1-N-(6'-Nitrobenzimidazole-1-ylmethyl)-3-mercapto-4-phenyl-1,2,4-triazole 5-[(6-nitro-1H-benzimidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide 5-[(6-nitro-1H-benzimidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
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Formula C16H12N6O2S
InChI InChI=1S/C16H12N6O2S/c23-22(24)12-6-7-13-14(8-12)20(10-17-13)9-15-18-19-16(25)21(15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,19,25)
InChIKey AOGLEAIPCLGJER-UHFFFAOYSA-N
Molecular Weight 352.372 g/mol
SMILES Sc1[n](c(nn1)C[n]1c2cc(N(=O)=O)ccc2nc1)-c1ccccc1
SPLASH splash10-0ufr-5209000000-a26d671832ee4c8d8ec0
Source of Spectrum Y1-37-130-8
Wiley ID 1527248