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2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-[(4-fluorophenyl)methyl]benzimidazole
SpectraBase Compound ID HrZPYtlv5wA
InChI InChI=1S/C22H16ClFN2O2S/c23-17-10-21-20(27-13-28-21)9-15(17)12-29-22-25-18-3-1-2-4-19(18)26(22)11-14-5-7-16(24)8-6-14/h1-10H,11-13H2
InChIKey CDTFLNXFXUMORI-UHFFFAOYSA-N
Mol Weight 426.89 g/mol
Molecular Formula C22H16ClFN2O2S
Exact Mass 426.060505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NRZdJazQ3Y
Name 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-[(4-fluorophenyl)methyl]benzimidazole
Alternate Name(s) 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-[(4-fluorophenyl)methyl]benzimidazole 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1-(4-fluorobenzyl)benzimidazole 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1-[(4-fluorophenyl)methyl]benzimidazole 2-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(4-fluorobenzyl)-1H-benzimidazole
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Formula C22H16ClFN2O2S
InChI InChI=1S/C22H16ClFN2O2S/c23-17-10-21-20(27-13-28-21)9-15(17)12-29-22-25-18-3-1-2-4-19(18)26(22)11-14-5-7-16(24)8-6-14/h1-10H,11-13H2
InChIKey CDTFLNXFXUMORI-UHFFFAOYSA-N
Molecular Weight 426.893 g/mol
SMILES c1([n](c2ccccc2n1)Cc1ccc(cc1)F)SCc1c(cc2c(c1)OCO2)Cl
SPLASH splash10-066r-2921000000-a89ccd0001588ba5362e
Wiley ID 1463744