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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-(2-fluorophenyl)-
SpectraBase Compound ID 7nsnGtk24ZS
InChI InChI=1S/C22H23FN6OS/c1-22(2,3)13-8-9-14-16(11-24)21(31-18(14)10-13)25-19(30)12-29-27-20(26-28-29)15-6-4-5-7-17(15)23/h4-7,13H,8-10,12H2,1-3H3,(H,25,30)
InChIKey KLWIRKNOBAHZKY-UHFFFAOYSA-N
Mol Weight 438.53 g/mol
Molecular Formula C22H23FN6OS
Exact Mass 438.163809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUojm66XYcV
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-(2-fluorophenyl)-
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Formula C22H23FN6OS
InChI InChI=1S/C22H23FN6OS/c1-22(2,3)13-8-9-14-16(11-24)21(31-18(14)10-13)25-19(30)12-29-27-20(26-28-29)15-6-4-5-7-17(15)23/h4-7,13H,8-10,12H2,1-3H3,(H,25,30)
InChIKey KLWIRKNOBAHZKY-UHFFFAOYSA-N
Molecular Weight 438.525 g/mol
SMILES N(C(C[n]1nc(nn1)-c1c(cccc1)F)=O)c1sc2c(CCC(C2)C(C)(C)C)c1C#N
SPLASH splash10-0kfw-7911000000-a981967ae1e4899433f2
Source of Spectrum IY-1-4584-0
Synonyms N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[5-(2-fluorophenyl)-2-tetrazolyl]acetamide N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[5-(2-fluorophenyl)-1,2,3,4-tetrazol-2-yl]ethanamide
Wiley ID 1653823