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N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[5-(4-methylsulfanylphenyl)-1,2,3,4-tetrazol-2-yl]ethanamide

View entire compound with spectra: 1 MS (GC)

N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[5-(4-methylsulfanylphenyl)-1,2,3,4-tetrazol-2-yl]ethanamide
SpectraBase Compound ID 7ra4l9rxgFW
InChI InChI=1S/C23H26N6OS2/c1-23(2,3)15-7-10-17-18(12-24)22(32-19(17)11-15)25-20(30)13-29-27-21(26-28-29)14-5-8-16(31-4)9-6-14/h5-6,8-9,15H,7,10-11,13H2,1-4H3,(H,25,30)
InChIKey IUKHAKGPHNDOHH-UHFFFAOYSA-N
Mol Weight 466.62 g/mol
Molecular Formula C23H26N6OS2
Exact Mass 466.160952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4sfaiwJlm82
Name N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[5-(4-methylsulfanylphenyl)-1,2,3,4-tetrazol-2-yl]ethanamide
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Formula C23H26N6OS2
InChI InChI=1S/C23H26N6OS2/c1-23(2,3)15-7-10-17-18(12-24)22(32-19(17)11-15)25-20(30)13-29-27-21(26-28-29)14-5-8-16(31-4)9-6-14/h5-6,8-9,15H,7,10-11,13H2,1-4H3,(H,25,30)
InChIKey IUKHAKGPHNDOHH-UHFFFAOYSA-N
Molecular Weight 466.622 g/mol
SMILES N(c1c(c2c(s1)CC(CC2)C(C)(C)C)C#N)C(C[n]1nc(nn1)-c1ccc(cc1)SC)=O
SPLASH splash10-0f6w-8910000000-71a3701857cabf0e84c4
Synonyms N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[5-[4-(methylthio)phenyl]-2-tetrazolyl]acetamide N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[5-[4-(methylthio)phenyl]tetrazol-2-yl]acetamide
Wiley ID 1512401