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(Z)-2-(2-isoquinolin-2-iumyl)-3-(methylthio)-1-phenyl-3-sulfanylidene-1-propen-1-olate
SpectraBase Compound ID BY6xDEmGDuL
InChI InChI=1S/C19H15NOS2/c1-23-19(22)17(18(21)15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)13-20/h2-13H,1H3
InChIKey KQDJXIXKKYQXKE-UHFFFAOYSA-N
Mol Weight 337.46 g/mol
Molecular Formula C19H15NOS2
Exact Mass 337.059506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bmEOe6hW5u
Name (Z)-2-(2-isoquinolin-2-iumyl)-3-(methylthio)-1-phenyl-3-sulfanylidene-1-propen-1-olate
CAS Registry Number 112777-23-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15NOS2
InChI InChI=1S/C19H15NOS2/c1-23-19(22)17(18(21)15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)13-20/h2-13H,1H3
InChIKey KQDJXIXKKYQXKE-UHFFFAOYSA-N
Molecular Weight 337.455 g/mol
SMILES C(\C(=n\1cc2ccccc2cc1)C(=S)SC)(=O)c1ccccc1
SPLASH splash10-002f-4972000000-3912c5d915a00f0b7cc2
Source of Spectrum Y-24-924-11
Synonyms (Z)-2-isoquinolin-2-ium-2-yl-3-(methylthio)-1-phenyl-3-thioxo-prop-1-en-1-olate (Z)-2-isoquinolin-2-ium-2-yl-3-methylsulfanyl-1-phenyl-3-sulfanylidene-prop-1-en-1-olate (Z)-2-isoquinolin-2-ium-2-yl-3-methylsulfanyl-1-phenyl-3-thioxo-prop-1-en-1-olate
Wiley ID 1333101