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2H-1,2,3,4-Tetrazole-2-acetamide, N-(3-cyano-4,5,6,7-tetrahydro-6-methyl-1-benzothiophen-2-yl)-5-[4-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 9Kec7zN8NHM
InChI InChI=1S/C20H17F3N6OS/c1-11-2-7-14-15(9-24)19(31-16(14)8-11)25-17(30)10-29-27-18(26-28-29)12-3-5-13(6-4-12)20(21,22)23/h3-6,11H,2,7-8,10H2,1H3,(H,25,30)
InChIKey PPDTWMRWXRASGH-UHFFFAOYSA-N
Mol Weight 446.45 g/mol
Molecular Formula C20H17F3N6OS
Exact Mass 446.113665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cXMWGzFcpj
Name 2H-1,2,3,4-Tetrazole-2-acetamide, N-(3-cyano-4,5,6,7-tetrahydro-6-methyl-1-benzothiophen-2-yl)-5-[4-(trifluoromethyl)phenyl]-
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Formula C20H17F3N6OS
InChI InChI=1S/C20H17F3N6OS/c1-11-2-7-14-15(9-24)19(31-16(14)8-11)25-17(30)10-29-27-18(26-28-29)12-3-5-13(6-4-12)20(21,22)23/h3-6,11H,2,7-8,10H2,1H3,(H,25,30)
InChIKey PPDTWMRWXRASGH-UHFFFAOYSA-N
Molecular Weight 446.452 g/mol
SMILES N(C(C[n]1nnc(-c2ccc(cc2)C(F)(F)F)n1)=O)c1c(c2c(CC(CC2)C)s1)C#N
SPLASH splash10-00dj-3901000000-0bd15baa35a6d47022eb
Source of Spectrum IY-1-4531-5
Synonyms N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[5-[4-(trifluoromethyl)phenyl]-2-tetrazolyl]acetamide N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[5-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrazol-2-yl]ethanamide
Wiley ID 1653298