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tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, N-[3-[[2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl]amino]phenyl]-
SpectraBase Compound ID Lmwk9C5cCtz
InChI InChI=1S/C26H28N6O2S/c33-23(16-35-25-29-30-31-32(25)22-7-2-1-3-8-22)27-20-5-4-6-21(12-20)28-24(34)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-8,12,17-19H,9-11,13-16H2,(H,27,33)(H,28,34)/t17-,18+,19-,26-
InChIKey BIAFLOPRZGVOMZ-MCTDJQMZSA-N
Mol Weight 488.61 g/mol
Molecular Formula C26H28N6O2S
Exact Mass 488.199445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTdYY9EvGQi
Name N-[3-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]phenyl]adamantane-1-carboxamide
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Formula C26H28N6O2S
InChI InChI=1S/C26H28N6O2S/c33-23(16-35-25-29-30-31-32(25)22-7-2-1-3-8-22)27-20-5-4-6-21(12-20)28-24(34)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-8,12,17-19H,9-11,13-16H2,(H,27,33)(H,28,34)/t17-,18+,19-,26-
InChIKey BIAFLOPRZGVOMZ-MCTDJQMZSA-N
Molecular Weight 488.610 g/mol
SMILES N(C(CSc1[n](nnn1)-c1ccccc1)=O)c1cc(NC(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])=O)ccc1
SPLASH splash10-00di-0291000000-1c1d677471183efc988e
Synonyms N-[3-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]phenyl]-1-adamantanecarboxamide N-[3-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]adamantane-1-carboxamide N-[3-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]phenyl]adamantane-1-carboxamide
Wiley ID 1460892