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3-[ (3'-Chloropropionyl)amino]-5-[(indol-3'-yl)methylene]-2-thioxothiazolidin-4-one
SpectraBase Compound ID B5UlQbhFc32
InChI InChI=1S/C15H12ClN3O2S2/c16-6-5-13(20)18-19-14(21)12(23-15(19)22)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,7-8,17H,5-6H2,(H,18,20)/b12-7+
InChIKey YSTSLBCGLJNYBL-KPKJPENVSA-N
Mol Weight 365.85 g/mol
Molecular Formula C15H12ClN3O2S2
Exact Mass 365.005947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FQhLDr1kC7
Name 3-[ (3'-Chloropropionyl)amino]-5-[(indol-3'-yl)methylene]-2-thioxothiazolidin-4-one
Alternate Name(s) 3-chloro-N-[(5E)-5-(1H-indol-3-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanamide
Comments Less than 3 mono-isotopic peaks
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Formula C15H12ClN3O2S2
InChI InChI=1S/C15H12ClN3O2S2/c16-6-5-13(20)18-19-14(21)12(23-15(19)22)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,7-8,17H,5-6H2,(H,18,20)/b12-7+
InChIKey YSTSLBCGLJNYBL-KPKJPENVSA-N
Molecular Weight 365.853 g/mol
SMILES [nH]1c2c(c(\C=C/3C(N(C(S3)=S)NC(CCCl)=O)=O)c1)cccc2
SPLASH splash10-00di-0902000000-556e5f2cd23221e8eb33
Source of Spectrum Y-32-1023-3
Wiley ID 1351279