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Acetamide, N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[[5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl]thio]-
SpectraBase Compound ID n0AdR7OfJp
InChI InChI=1S/C26H25N5O2S/c1-16-21(14-27)25(29-22(16)12-18-6-4-3-5-7-18)31-24(33)15-34-26-28-17(2)23(30-26)13-19-8-10-20(32)11-9-19/h3-11,29,32H,12-13,15H2,1-2H3,(H,28,30)(H,31,33)
InChIKey JNLQKLGKWHTJML-UHFFFAOYSA-N
Mol Weight 471.58 g/mol
Molecular Formula C26H25N5O2S
Exact Mass 471.172896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bb2zOhsvKgJ
Name Acetamide, N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[[5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl]thio]-
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Formula C26H25N5O2S
InChI InChI=1S/C26H25N5O2S/c1-16-21(14-27)25(29-22(16)12-18-6-4-3-5-7-18)31-24(33)15-34-26-28-17(2)23(30-26)13-19-8-10-20(32)11-9-19/h3-11,29,32H,12-13,15H2,1-2H3,(H,28,30)(H,31,33)
InChIKey JNLQKLGKWHTJML-UHFFFAOYSA-N
Molecular Weight 471.579 g/mol
SMILES [nH]1c(c(c(C)c1Cc1ccccc1)C#N)NC(CSc1nc(c(Cc2ccc(cc2)O)[nH]1)C)=O
SPLASH splash10-0gvk-3490000000-4413afec1a41f2bdbf85
Source of Spectrum IY-2-5048-0
Synonyms N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-({5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl}sulfanyl)acetamide N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]thio]acetamide N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]ethanamide
Wiley ID 1658463