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2-(4-Chloro-phenylamino)-1-(4-methylphenyl)benzo[4,5]thieno[3,2-d][1,2,4-tri-azolo[1,5-a]pyrimidin-5(1H)-one]

View entire compound with spectra: 1 MS (GC)

2-(4-Chloro-phenylamino)-1-(4-methylphenyl)benzo[4,5]thieno[3,2-d][1,2,4-tri-azolo[1,5-a]pyrimidin-5(1H)-one]
SpectraBase Compound ID B4JsgSCHMBi
InChI InChI=1S/C24H16ClN5OS/c1-14-6-12-17(13-7-14)29-23(26-16-10-8-15(25)9-11-16)28-30-22(31)21-20(27-24(29)30)18-4-2-3-5-19(18)32-21/h2-13H,1H3,(H,26,28)
InChIKey WUUICIDBJORJDS-UHFFFAOYSA-N
Mol Weight 457.94 g/mol
Molecular Formula C24H16ClN5OS
Exact Mass 457.076409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vnOTbJL4hH
Name 2-(4-Chloro-phenylamino)-1-(4-methylphenyl)benzo[4,5]thieno[3,2-d][1,2,4-tri-azolo[1,5-a]pyrimidin-5(1H)-one]
Alternate Name(s) 2-(4-Chloro-phenylamino)-3-p-tolyl-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 C24H16ClN5OS
InChI InChI=1S/C24H16ClN5OS/c1-14-6-12-17(13-7-14)29-23(26-16-10-8-15(25)9-11-16)28-30-22(31)21-20(27-24(29)30)18-4-2-3-5-19(18)32-21/h2-13H,1H3,(H,26,28)
InChIKey WUUICIDBJORJDS-UHFFFAOYSA-N
Molecular Weight 457.939 g/mol
SMILES N(C1=NN2C(N1c1ccc(cc1)C)=Nc1c(C2=O)sc2ccccc12)c1ccc(cc1)Cl
SPLASH splash10-004m-9550200000-8303b4d1e08a9f42d5c3
Source of Spectrum Y-46-906-7c
Wiley ID 1666857