1-[1-[[4-(furan-2-ylmethylsulfanyl)-3-methyl-pyridin-2-yl]methylsulfanyl]benzimidazol-1-ium-1-yl]butan-1-one

Systemtic Name: 1-[1-[[4-(furan-2-ylmethylsulfanyl)-3-methyl-pyridin-2-yl]methylsulfanyl]benzimidazol-1-ium-1-yl]butan-1-one Openeye Name: 1-[1-[[4-(2-furylmethylsulfanyl)-3-methyl-2-pyridyl]methylsulfanyl]benzimidazol-1-ium-1-yl]butan-1-one CAS Name: 1-[1-[[4-(2-furanylmethylthio)-3-methyl-2-pyridinyl]methylthio]-1-benzimidazol-1-iumyl]-1-butanone IUPAC Name: 1-[1-[[4-(furan-2-ylmethylsulfanyl)-3-methylpyridin-2-yl]methylsulfanyl]benzimidazol-1-ium-1-yl]butan-1-one Traditional Name: 1-[1-[[4-(2-furfurylthio)-3-methyl-2-pyridyl]methylthio]benzimidazol-1-ium-1-yl]butan-1-one Formula: C23H24N3O2S2+ MolecularWeight: 438.58556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[N+]1(C=NC2=CC=CC=C21)SCC3=NC=CC(=C3C)SCC4=CC=CO4

Isomeric SMILES

CCCC(=O)[N+]1(C=NC2=CC=CC=C21)SCC3=NC=CC(=C3C)SCC4=CC=CO4

InChI

InChI=1S/C23H24N3O2S2/c1-3-7-23(27)26(16-25-19-9-4-5-10-21(19)26)30-15-20-17(2)22(11-12-24-20)29-14-18-8-6-13-28-18/h4-6,8-13,16H,3,7,14-15H2,1-2H3/q+1