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N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetamide
SpectraBase Compound ID tI3emFrUtd
InChI InChI=1S/C16H21N5OS2/c1-9-12(7-17)15(20-13(9)5-6-23-4)21-14(22)8-24-16-18-10(2)11(3)19-16/h20H,5-6,8H2,1-4H3,(H,18,19)(H,21,22)
InChIKey GMNPKGWIFICMCQ-UHFFFAOYSA-N
Mol Weight 363.5 g/mol
Molecular Formula C16H21N5OS2
Exact Mass 363.118753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52Sv0WD6kx2
Name N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetamide
Alternate Name(s) N-[3-cyano-4-methyl-5-(2-methylsulfanylethyl)-1H-pyrrol-2-yl]-2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetamide N-[3-cyano-4-methyl-5-(2-methylsulfanylethyl)-1H-pyrrol-2-yl]-2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N5OS2
InChI InChI=1S/C16H21N5OS2/c1-9-12(7-17)15(20-13(9)5-6-23-4)21-14(22)8-24-16-18-10(2)11(3)19-16/h20H,5-6,8H2,1-4H3,(H,18,19)(H,21,22)
InChIKey GMNPKGWIFICMCQ-UHFFFAOYSA-N
Molecular Weight 363.498 g/mol
SMILES [nH]1c(c(c(c1NC(CSc1nc(C)c([nH]1)C)=O)C#N)C)CCSC
SPLASH splash10-0159-2900000000-ea42cd3f90a657bf675c
Source of Spectrum IY-2-5077-1
Wiley ID 1658754