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N-(5-adamantan-1-yl-2-bromo-phenyl)-2-[1-(4-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
SpectraBase Compound ID L0wN0bxPhCf
InChI InChI=1S/C26H28BrN5O2S/c1-34-21-5-3-20(4-6-21)32-25(29-30-31-32)35-15-24(33)28-23-11-19(2-7-22(23)27)26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18H,8-10,12-15H2,1H3,(H,28,33)
InChIKey QSXTXRWJTGOCNU-UHFFFAOYSA-N
Mol Weight 554.51 g/mol
Molecular Formula C26H28BrN5O2S
Exact Mass 553.114709 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3TP61l0qp6
Name N-(5-adamantan-1-yl-2-bromo-phenyl)-2-[1-(4-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
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Formula C26H28BrN5O2S
InChI InChI=1S/C26H28BrN5O2S/c1-34-21-5-3-20(4-6-21)32-25(29-30-31-32)35-15-24(33)28-23-11-19(2-7-22(23)27)26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18H,8-10,12-15H2,1H3,(H,28,33)
InChIKey QSXTXRWJTGOCNU-UHFFFAOYSA-N
Molecular Weight 554.507 g/mol
SMILES N(C(CSc1[n](-c2ccc(cc2)OC)nnn1)=O)c1cc(ccc1Br)C12CC3CC(C2)CC(C3)C1
SPLASH splash10-0002-4910000000-4c1bcf56a933c1165f97
Synonyms N-[5-(1-adamantyl)-2-bromophenyl]-2-{[1-(4-methoxyphenyl)-1H-tetraazol-5-yl]sulfanyl}acetamide N-[5-(1-adamantyl)-2-bromophenyl]-2-[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]acetamide N-[5-(1-adamantyl)-2-bromophenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide N-[5-(1-adamantyl)-2-bromo-phenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide N-[5-(1-adamantyl)-2-bromanyl-phenyl]-2-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide
Wiley ID 1445672