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4-{[(4,9-Dimethoxy-5-oxo-5H-furo[3,2-g]chromen-6-yl) methylidene]amino}-3-phenyl-5-thioxo-1,5-dihydro-1,2,4-triazole
SpectraBase Compound ID AZ95ORjz4Mh
InChI InChI=1S/C22H16N4O5S/c1-28-17-14-8-9-30-18(14)20(29-2)19-15(17)16(27)13(11-31-19)10-23-26-21(24-25-22(26)32)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,25,32)
InChIKey QJPVGLPQYIUODW-UHFFFAOYSA-N
Mol Weight 448.45 g/mol
Molecular Formula C22H16N4O5S
Exact Mass 448.084141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D47L0Gzz14b
Name 4-{[(4,9-Dimethoxy-5-oxo-5H-furo[3,2-g]chromen-6-yl) methylidene]amino}-3-phenyl-5-thioxo-1,5-dihydro-1,2,4-triazole
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N4O5S
InChI InChI=1S/C22H16N4O5S/c1-28-17-14-8-9-30-18(14)20(29-2)19-15(17)16(27)13(11-31-19)10-23-26-21(24-25-22(26)32)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,25,32)
InChIKey QJPVGLPQYIUODW-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2733
Molecular Weight 448.453 g/mol
SMILES N1C(N(C(=N1)c1ccccc1)N=CC1=COc2c(c(c3c(c2OC)occ3)OC)C1=O)=S
SPLASH splash10-0adl-3490000000-caee42aa9e451249bb58
Source of Spectrum Y-54-1474-11
Wiley ID 1878236