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2-[(1H-Benzimidazol-2-ylmethyl)sulfanyl]-4,6-dimethylnicotinonitrile
SpectraBase Compound ID DFELkpM5QY1
InChI InChI=1S/C16H14N4S/c1-10-7-11(2)18-16(12(10)8-17)21-9-15-19-13-5-3-4-6-14(13)20-15/h3-7H,9H2,1-2H3,(H,19,20)
InChIKey WPJVQVKEGZOOOJ-UHFFFAOYSA-N
Mol Weight 294.38 g/mol
Molecular Formula C16H14N4S
Exact Mass 294.093918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cr2FZoulcr
Name 2-[(1H-Benzimidazol-2-ylmethyl)sulfanyl]-4,6-dimethylnicotinonitrile
CAS Registry Number 342396-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N4S
InChI InChI=1S/C16H14N4S/c1-10-7-11(2)18-16(12(10)8-17)21-9-15-19-13-5-3-4-6-14(13)20-15/h3-7H,9H2,1-2H3,(H,19,20)
InChIKey WPJVQVKEGZOOOJ-UHFFFAOYSA-N
Molecular Weight 294.376 g/mol
SMILES [nH]1c2ccccc2nc1CSc1c(c(cc(C)n1)C)C#N
SPLASH splash10-03dl-9840000000-c5f7d044d547c03bc778
Synonyms 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4,6-dimethyl-pyridine-3-carbonitrile 2-(1H-benzimidazol-2-ylmethylthio)-4,6-dimethyl-3-pyridinecarbonitrile 2-(1H-benzimidazol-2-ylmethylthio)-4,6-dimethyl-nicotinonitrile 2-(1H-Benzoimidazol-2-ylmethylsulfanyl)-4,6-dimethyl-nicotinonitrile
Wiley ID 1458413