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N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetamide
SpectraBase Compound ID 91Pt7JxGxya
InChI InChI=1S/C20H21N5OS/c1-12-16(10-21)19(24-17(12)9-15-7-5-4-6-8-15)25-18(26)11-27-20-22-13(2)14(3)23-20/h4-8,24H,9,11H2,1-3H3,(H,22,23)(H,25,26)
InChIKey SEMSUSQSXJZQLD-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 9Iq8j0jh1rh
Name N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N5OS
InChI InChI=1S/C20H21N5OS/c1-12-16(10-21)19(24-17(12)9-15-7-5-4-6-8-15)25-18(26)11-27-20-22-13(2)14(3)23-20/h4-8,24H,9,11H2,1-3H3,(H,22,23)(H,25,26)
InChIKey SEMSUSQSXJZQLD-UHFFFAOYSA-N
Molecular Weight 379.482 g/mol
SMILES [nH]1c(c(c(C)c1Cc1ccccc1)C#N)NC(CSc1nc(C)c([nH]1)C)=O
SPLASH splash10-02vi-3930000000-366c98dff571697984a1
Source of Spectrum IY-2-5056-0
Synonyms N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[(4,5-dimethyl-1H-imidazol-2-yl)thio]acetamide N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]ethanamide
Wiley ID 1658543