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2-[({3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile

View entire compound with spectra: 1 MS (GC)

2-[({3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
SpectraBase Compound ID CWoO9yhjd0v
InChI InChI=1S/C22H21BrN4OS/c1-13-21(23)14(2)27(26-13)12-16-9-15(7-8-19(16)28-3)11-25-22-18(10-24)17-5-4-6-20(17)29-22/h7-9,11H,4-6,12H2,1-3H3/b25-11+
InChIKey IYISSAFSSRMYAJ-OPEKNORGSA-N
Mol Weight 469.4 g/mol
Molecular Formula C22H21BrN4OS
Exact Mass 468.061945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AyIn0spc3Cv
Name 2-[({3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
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Formula C22H21BrN4OS
InChI InChI=1S/C22H21BrN4OS/c1-13-21(23)14(2)27(26-13)12-16-9-15(7-8-19(16)28-3)11-25-22-18(10-24)17-5-4-6-20(17)29-22/h7-9,11H,4-6,12H2,1-3H3/b25-11+
InChIKey IYISSAFSSRMYAJ-OPEKNORGSA-N
Molecular Weight 469.401 g/mol
SMILES COc1c(C[n]2nc(C)c(c2C)Br)cc(\C=N\c2c(c3CCCc3s2)C#N)cc1
SPLASH splash10-0006-9480200000-cddc9b29ba2006b962b2
Synonyms 2-[((E)-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile 2-[[3-(4-bromo-3,5-dimethyl-pyrazol-1-ylmethyl)-4-methoxy-benzylidene]-amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Wiley ID 1439062