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2-(4-Chloro-phenylamino)-1-(4-chlorophenyl)benzo[4,5]thieno[3,2-d][1,2,4-tri-azolo][1,5-a]pyrimidin-5(1H)-one
SpectraBase Compound ID DuOVXOx0ohq
InChI InChI=1S/C23H13Cl2N5OS/c24-13-5-9-15(10-6-13)26-22-28-30-21(31)20-19(17-3-1-2-4-18(17)32-20)27-23(30)29(22)16-11-7-14(25)8-12-16/h1-12H,(H,26,28)
InChIKey FKXNHWZNRCOBNZ-UHFFFAOYSA-N
Mol Weight 478.36 g/mol
Molecular Formula C23H13Cl2N5OS
Exact Mass 477.021787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhvHDBTHgKk
Name 2-(4-Chloro-phenylamino)-1-(4-chlorophenyl)benzo[4,5]thieno[3,2-d][1,2,4-tri-azolo][1,5-a]pyrimidin-5(1H)-one
Alternate Name(s) 3-(4-Chloro-phenyl)-2-(4-chloro-phenylamino)-3H-9-thia-1,3,4,10a-tetraaza-cyclopenta[b]fluoren-10-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H13Cl2N5OS
InChI InChI=1S/C23H13Cl2N5OS/c24-13-5-9-15(10-6-13)26-22-28-30-21(31)20-19(17-3-1-2-4-18(17)32-20)27-23(30)29(22)16-11-7-14(25)8-12-16/h1-12H,(H,26,28)
InChIKey FKXNHWZNRCOBNZ-UHFFFAOYSA-N
Molecular Weight 478.357 g/mol
SMILES N(C1=NN2C(N1c1ccc(cc1)Cl)=Nc1c(C2=O)sc2ccccc12)c1ccc(cc1)Cl
SPLASH splash10-004i-6890700000-a2a8658b6c0363cc0492
Source of Spectrum Y-46-906-7d
Wiley ID 1711114