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N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(5-benzyl-4-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
SpectraBase Compound ID BicS4SoW7Fn
InChI InChI=1S/C26H25N5OS/c1-17-21(15-27)25(29-22(17)13-19-9-5-3-6-10-19)31-24(32)16-33-26-28-18(2)23(30-26)14-20-11-7-4-8-12-20/h3-12,29H,13-14,16H2,1-2H3,(H,28,30)(H,31,32)
InChIKey JHIZXVPVOZRGGK-UHFFFAOYSA-N
Mol Weight 455.58 g/mol
Molecular Formula C26H25N5OS
Exact Mass 455.177982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rNq0m4gj4P
Name N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(5-benzyl-4-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25N5OS
InChI InChI=1S/C26H25N5OS/c1-17-21(15-27)25(29-22(17)13-19-9-5-3-6-10-19)31-24(32)16-33-26-28-18(2)23(30-26)14-20-11-7-4-8-12-20/h3-12,29H,13-14,16H2,1-2H3,(H,28,30)(H,31,32)
InChIKey JHIZXVPVOZRGGK-UHFFFAOYSA-N
Molecular Weight 455.580 g/mol
SMILES [nH]1c(c(c(C)c1Cc1ccccc1)C#N)NC(CSc1nc(c([nH]1)Cc1ccccc1)C)=O
SPLASH splash10-0002-1390000000-95d877bcab2e84c9e663
Source of Spectrum IY-2-5031-6
Synonyms N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]acetamide N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanamide
Wiley ID 1658299