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2-((1H-Benzo[d]imidazol-2-yl)methylthio)-4-(2-phenylhydrazinyl)-6-phenylpyrimidine-5-carbonitrile
SpectraBase Compound ID KPSAubzS0pd
InChI InChI=1S/C25H19N7S/c26-15-19-23(17-9-3-1-4-10-17)29-25(30-24(19)32-31-18-11-5-2-6-12-18)33-16-22-27-20-13-7-8-14-21(20)28-22/h1-14,31H,16H2,(H,27,28)(H,29,30,32)
InChIKey DNGSBZJIQOYANE-UHFFFAOYSA-N
Mol Weight 449.54 g/mol
Molecular Formula C25H19N7S
Exact Mass 449.142265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KJfBL92cwj
Name 2-((1H-Benzo[d]imidazol-2-yl)methylthio)-4-(2-phenylhydrazinyl)-6-phenylpyrimidine-5-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C25H19N7S
InChI InChI=1S/C25H19N7S/c26-15-19-23(17-9-3-1-4-10-17)29-25(30-24(19)32-31-18-11-5-2-6-12-18)33-16-22-27-20-13-7-8-14-21(20)28-22/h1-14,31H,16H2,(H,27,28)(H,29,30,32)
InChIKey DNGSBZJIQOYANE-UHFFFAOYSA-N
Molecular Weight 449.536 g/mol
SMILES [nH]1c2ccccc2nc1CSc1nc(c(c(n1)NNc1ccccc1)C#N)-c1ccccc1
SPLASH splash10-0002-0000900000-ad12d51c72d0389f4a95
Source of Spectrum F2-45-2341-6
Synonyms 2-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-6-(phenylhydrazo)-5-pyrimidinecarbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(2-phenylhydrazino)pyrimidine-5-carbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(2-phenylhydrazinyl)pyrimidine-5-carbonitrile
Wiley ID 1689198