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2H-1,2,3,4-Tetrazole-2-acetamide, N-[3-cyano-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(4-methoxyphenyl)-

View entire compound with spectra: 1 MS (GC)

2H-1,2,3,4-Tetrazole-2-acetamide, N-[3-cyano-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(4-methoxyphenyl)-
SpectraBase Compound ID CCS0gUNjO3b
InChI InChI=1S/C23H26N6O2S/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 KZBIOCFCOWDVSS-UHFFFAOYSA-N
Mol Weight 450.56 g/mol
Molecular Formula C23H26N6O2S
Exact Mass 450.183795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XpkSMvZlt1
Name 2H-1,2,3,4-Tetrazole-2-acetamide, N-[3-cyano-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(4-methoxyphenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N6O2S
InChI InChI=1S/C23H26N6O2S/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 KZBIOCFCOWDVSS-UHFFFAOYSA-N
Molecular Weight 450.561 g/mol
SMILES N(C(C[n]1nc(nn1)-c1ccc(cc1)OC)=O)c1sc2CC(CCc2c1C#N)C(C)(C)C
SPLASH splash10-001i-4911200000-c05c4f66552594219620
Source of Spectrum IY-1-4625-0
Synonyms N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[5-(4-methoxyphenyl)-2-tetrazolyl]acetamide N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamide
Wiley ID 1654233