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N-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanamide
SpectraBase Compound ID L8FOCEVAvod
InChI InChI=1S/C16H11ClF2N4O4S/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 GEYIUBDFTZCESK-UHFFFAOYSA-N
Mol Weight 428.8 g/mol
Molecular Formula C16H11ClF2N4O4S
Exact Mass 428.01576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIYFXhJMrf8
Name N-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanamide
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Formula C16H11ClF2N4O4S
InChI InChI=1S/C16H11ClF2N4O4S/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 GEYIUBDFTZCESK-UHFFFAOYSA-N
Molecular Weight 428.798 g/mol
SMILES [nH]1c2ccc(cc2nc1SCC(Nc1ccc(OC(F)(F)Cl)cc1)=O)N(=O)=O
SPLASH splash10-0a4u-9720000000-d926495b219d2b125e14
Synonyms N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
Wiley ID 1458663