Chem
J-GLOBAL ID：201507019152264292   Nikkaji number：J3.440.894G

1-(3-Thiocyanatopropyl)-3-benzyl-1H-benzoimidazole-3-ium

1-(3-チオシアナトプロピル)-3-ベンジル-1H-ベンゾイミダゾール-3-イウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H18N2[N+]S
Molecular formula furigana： C18-H18-N3-S
Molecular weight： 308.420
InChI： InChI=1S/C18H18N3S/c19-14-22-12-6-11-20-15-21(13-16-7-2-1-3-8-16)18-10-5-4-9-17(18)20/h1-5,7-10,15H,6,11-13H2/q+1
InChI key： WJSAMVNEUUEPNL-UHFFFAOYSA-N
SMILES： N#CSCCCn1c[n+](Cc2ccccc2)c2ccccc12
Systematic name  (3)：
  • 1-(3-チオシアナトプロピル)-3-ベンジル-1H-ベンゾイミダゾール-3-イウム
  • 3-ベンジル-1-[3-(シアノスルファニル)プロピル]-1H-1,3-ベンゾジアゾール-3-イウム
  • 3-benzyl-1-[3-(cyanosulfanyl)propyl]-1H-1,3-benzodiazol-3-ium
Other name (1)：
  • 1-(3-Thiocyanatopropyl)-3-benzyl-1H-benzoimidazole-3-ium
Thsaurus map：
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