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H2fLbZqvHCL
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H2fLbZqvHCL
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Mass Spectrum (GC)
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2-[3-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-4-cyano-isothiazol-5-yl]sulfanyl-N-(4-bromophenyl)acetamide
SpectraBase Compound ID 6azgk6QFMqr
InChI InChI=1S/C20H14Br2N4O2S3/c21-12-1-5-14(6-2-12)24-17(27)10-29-19-16(9-23)20(31-26-19)30-11-18(28)25-15-7-3-13(22)4-8-15/h1-8H,10-11H2,(H,24,27)(H,25,28)
InChIKey CUIZKCMPWXWSEV-UHFFFAOYSA-N
Mol Weight 598.35 g/mol
Molecular Formula C20H14Br2N4O2S3
Exact Mass 595.864565 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2fLbZqvHCL
Name 2-[3-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-4-cyano-isothiazol-5-yl]sulfanyl-N-(4-bromophenyl)acetamide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14Br2N4O2S3
InChI InChI=1S/C20H14Br2N4O2S3/c21-12-1-5-14(6-2-12)24-17(27)10-29-19-16(9-23)20(31-26-19)30-11-18(28)25-15-7-3-13(22)4-8-15/h1-8H,10-11H2,(H,24,27)(H,25,28)
InChIKey CUIZKCMPWXWSEV-UHFFFAOYSA-N
Molecular Weight 598.346 g/mol
SMILES N(C(CSc1c(c(SCC(Nc2ccc(cc2)Br)=O)sn1)C#N)=O)c1ccc(cc1)Br
SPLASH splash10-022d-9510000000-49e9b0b9095cd1eb741a
Synonyms 2-[[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-4-cyano-1,2-thiazol-5-yl]sulfanyl]-N-(4-bromophenyl)acetamide 2-[[3-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-4-cyano-isothiazol-5-yl]thio]-N-(4-bromophenyl)acetamide 2-[[3-[[2-(4-bromoanilino)-2-oxoethyl]thio]-4-cyano-5-isothiazolyl]thio]-N-(4-bromophenyl)acetamide N-(4-bromophenyl)-2-[[3-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-cyano-1,2-thiazol-5-yl]sulfanyl]ethanamide
Wiley ID 1459386
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