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2-(9-Methyl-4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl)-3-(methylthio)-3-(phenylamino)acrylonitrile

View entire compound with spectra: 1 MS (GC)

2-(9-Methyl-4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl)-3-(methylthio)-3-(phenylamino)acrylonitrile
SpectraBase Compound ID 22XpzHOypuF
InChI InChI=1S/C25H18N6OS2/c1-15-13-18(16-9-5-3-6-10-16)28-24-20(15)21-22(34-24)25(32)31(30-29-21)19(14-26)23(33-2)27-17-11-7-4-8-12-17/h3-13,27H,1-2H3
InChIKey FAILMIYYUGGBDN-UHFFFAOYSA-N
Mol Weight 482.58 g/mol
Molecular Formula C25H18N6OS2
Exact Mass 482.098352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2koDLN4VDB
Name 2-(9-Methyl-4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl)-3-(methylthio)-3-(phenylamino)acrylonitrile
Appearance Dark brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18N6OS2
InChI InChI=1S/C25H18N6OS2/c1-15-13-18(16-9-5-3-6-10-16)28-24-20(15)21-22(34-24)25(32)31(30-29-21)19(14-26)23(33-2)27-17-11-7-4-8-12-17/h3-13,27H,1-2H3
InChIKey FAILMIYYUGGBDN-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3810
Molecular Weight 482.580 g/mol
SMILES N(C(=C(N1N=Nc2c3c(cc(nc3sc2C1=O)-c1ccccc1)C)C#N)SC)c1ccccc1
SPLASH splash10-002f-9800000000-ce843a883ecf7eb9171d
Source of Spectrum Y-57-SM101-41
Wiley ID 1860022