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2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SpectraBase Compound ID H9WBJa6XhyW
InChI InChI=1S/C16H11F3N4O4S/c17-16(18,19)27-11-4-1-9(2-5-11)20-14(24)8-28-15-21-12-6-3-10(23(25)26)7-13(12)22-15/h1-7H,8H2,(H,20,24)(H,21,22)
InChIKey VQOHEUQPYSWHBC-UHFFFAOYSA-N
Mol Weight 412.34 g/mol
Molecular Formula C16H11F3N4O4S
Exact Mass 412.045311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7ET8hsrC3g
Name 2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Alternate Name(s) 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-N-[4-(trifluoromethoxy)phenyl]acetamide
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Formula C16H11F3N4O4S
InChI InChI=1S/C16H11F3N4O4S/c17-16(18,19)27-11-4-1-9(2-5-11)20-14(24)8-28-15-21-12-6-3-10(23(25)26)7-13(12)22-15/h1-7H,8H2,(H,20,24)(H,21,22)
InChIKey VQOHEUQPYSWHBC-UHFFFAOYSA-N
Molecular Weight 412.343 g/mol
SMILES [nH]1c2ccc(cc2nc1SCC(Nc1ccc(OC(F)(F)F)cc1)=O)N(=O)=O
SPLASH splash10-06vi-6930000000-d9d433165a6673a5c981
Wiley ID 1457814