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2-[(5-benzyl-4-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide
SpectraBase Compound ID 48zMs3n9if5
InChI InChI=1S/C20H21N5OS/c1-12-13(2)22-19(16(12)10-21)25-18(26)11-27-20-23-14(3)17(24-20)9-15-7-5-4-6-8-15/h4-8,22H,9,11H2,1-3H3,(H,23,24)(H,25,26)
InChIKey SNOAOOFGQONNTA-UHFFFAOYSA-N
Mol Weight 379.48 g/mol
Molecular Formula C20H21N5OS
Exact Mass 379.146681 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Ja3E867pSQ
Name 2-[(5-benzyl-4-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N5OS
InChI InChI=1S/C20H21N5OS/c1-12-13(2)22-19(16(12)10-21)25-18(26)11-27-20-23-14(3)17(24-20)9-15-7-5-4-6-8-15/h4-8,22H,9,11H2,1-3H3,(H,23,24)(H,25,26)
InChIKey SNOAOOFGQONNTA-UHFFFAOYSA-N
Molecular Weight 379.482 g/mol
SMILES [nH]1c(c(c(c1NC(CSc1nc(c([nH]1)Cc1ccccc1)C)=O)C#N)C)C
SPLASH splash10-0f6w-6960000000-ac017bf1e5573eb1c0cb
Source of Spectrum IY-2-5056-9
Synonyms N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]acetamide 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanamide
Wiley ID 1658552