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N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
SpectraBase Compound ID 6qnrgGXwKlO
InChI InChI=1S/C23H27N5OS/c1-4-5-11-19-16(3)25-23(27-19)30-14-21(29)28-22-18(13-24)15(2)20(26-22)12-17-9-7-6-8-10-17/h6-10,26H,4-5,11-12,14H2,1-3H3,(H,25,27)(H,28,29)
InChIKey KYTNNAYCGKXWKO-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 K8dGs6vAmio
Name N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27N5OS
InChI InChI=1S/C23H27N5OS/c1-4-5-11-19-16(3)25-23(27-19)30-14-21(29)28-22-18(13-24)15(2)20(26-22)12-17-9-7-6-8-10-17/h6-10,26H,4-5,11-12,14H2,1-3H3,(H,25,27)(H,28,29)
InChIKey KYTNNAYCGKXWKO-UHFFFAOYSA-N
Molecular Weight 421.563 g/mol
SMILES [nH]1c(c(c(C)c1Cc1ccccc1)C#N)NC(CSc1nc(C)c([nH]1)CCCC)=O
SPLASH splash10-03di-3970000000-52186953809f4fb0aa1b
Source of Spectrum IY-2-5084-5
Synonyms 2-[(4-butyl-5-methyl-1H-imidazol-2-yl)thio]-N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]acetamide N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide 2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]ethanamide
Wiley ID 1658828