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N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-{[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetamide
SpectraBase Compound ID Gcf4ZUAbCUy
InChI InChI=1S/C23H27N5OS/c1-14(2)10-20-16(4)25-23(27-20)30-13-21(29)28-22-18(12-24)15(3)19(26-22)11-17-8-6-5-7-9-17/h5-9,14,26H,10-11,13H2,1-4H3,(H,25,27)(H,28,29)
InChIKey QSXHVBKTIOSHDV-UHFFFAOYSA-N
Mol Weight 421.56 g/mol
Molecular Formula C23H27N5OS
Exact Mass 421.193632 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hu4WL5mAsq
Name N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-{[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27N5OS
InChI InChI=1S/C23H27N5OS/c1-14(2)10-20-16(4)25-23(27-20)30-13-21(29)28-22-18(12-24)15(3)19(26-22)11-17-8-6-5-7-9-17/h5-9,14,26H,10-11,13H2,1-4H3,(H,25,27)(H,28,29)
InChIKey QSXHVBKTIOSHDV-UHFFFAOYSA-N
Molecular Weight 421.563 g/mol
SMILES [nH]1c(c(c(C)c1Cc1ccccc1)C#N)NC(CSc1nc(c([nH]1)CC(C)C)C)=O
SPLASH splash10-03di-3890000000-2a275376d0e937d412da
Source of Spectrum IY-2-5021-1
Synonyms N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]thio]acetamide N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-isobutyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]ethanamide
Wiley ID 1658194