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5-Chloranyl-2-[(5,6-dinitro-1H-benzimidazol-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile
SpectraBase Compound ID MUB3hmrXk0
InChI InChI=1S/C16H11ClN6O4S/c1-7-9(5-18)16(19-8(2)15(7)17)28-6-14-20-10-3-12(22(24)25)13(23(26)27)4-11(10)21-14/h3-4H,6H2,1-2H3,(H,20,21)
InChIKey HPUNHTPUTADZRO-UHFFFAOYSA-N
Mol Weight 418.82 g/mol
Molecular Formula C16H11ClN6O4S
Exact Mass 418.025102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21K0oa3aEa
Name 5-Chloranyl-2-[(5,6-dinitro-1H-benzimidazol-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile
Alternate Name(s) 5-Chloro-2-[(5,6-dinitro-1H-benzimidazol-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile 5-Chloro-2-[(5,6-dinitro-1H-benzimidazol-2-yl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile 5-Chloro-2-[(5,6-dinitro-1H-benzimidazol-2-yl)methylthio]-4,6-dimethyl-nicotinonitrile
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Formula C16H11ClN6O4S
InChI InChI=1S/C16H11ClN6O4S/c1-7-9(5-18)16(19-8(2)15(7)17)28-6-14-20-10-3-12(22(24)25)13(23(26)27)4-11(10)21-14/h3-4H,6H2,1-2H3,(H,20,21)
InChIKey HPUNHTPUTADZRO-UHFFFAOYSA-N
Molecular Weight 418.815 g/mol
SMILES [nH]1c(nc2cc(c(cc12)N(=O)=O)N(=O)=O)CSc1c(c(c(Cl)c(n1)C)C)C#N
SPLASH splash10-00or-5923200000-53c131ecbe7eabc252aa
Wiley ID 1462991