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2-Cyano-3-benzylthio-1,4-benzodithiin-1,1-dioxide
SpectraBase Compound ID 8MynCdiNhlB
InChI InChI=1S/C16H11NO2S3/c17-10-15-16(20-11-12-6-2-1-3-7-12)21-13-8-4-5-9-14(13)22(15,18)19/h1-9H,11H2
InChIKey ZSDRCUMWUUCZON-UHFFFAOYSA-N
Mol Weight 345.45 g/mol
Molecular Formula C16H11NO2S3
Exact Mass 344.995192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAUZsrrUKlg
Name 2-Cyano-3-benzylthio-1,4-benzodithiin-1,1-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11NO2S3
InChI InChI=1S/C16H11NO2S3/c17-10-15-16(20-11-12-6-2-1-3-7-12)21-13-8-4-5-9-14(13)22(15,18)19/h1-9H,11H2
InChIKey ZSDRCUMWUUCZON-UHFFFAOYSA-N
Molecular Weight 345.449 g/mol
SMILES C=1(S(c2c(SC1SCc1ccccc1)cccc2)(=O)=O)C#N
SPLASH splash10-0005-0934000000-4b18bbac01a9b1b6711b
Source of Spectrum SO-0-855-4
Synonyms 3-(benzylsulfanyl)-1,4-benzodithiin-2-carbonitrile 1,1-dioxide
Wiley ID 1538263