8-[(4-Chlorobenzyl)sulfanyl]-3,4-diphenylpyrimido[4',5':4,5]thieno[2,3-c]pyridazine

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Systematic / IUPAC Name: 8-[(4-Chlorobenzyl)sulfanyl]-3,4-diphenylpyrimido[4',5':4,5]thieno[2,3-c]pyridazine

ID: Reference5205

Other Names: Pyrimido[4',5':4,5]thieno[2,3-c]pyridazine, 8-{[(4-chlorophenyl)methyl]thio}-3,4-diphenyl-

Formula: C27H17ClN4S2

Spectral Data

8-[(4-Chlorobenzyl)sulfanyl]-3,4-diphenylpyrimido[4',5':4,5]thieno[2,3-c]pyridazine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 122
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/20/2016 11:06:42 AM
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Identificators

InChI InChI=1S/C27H17ClN4S2/c28-20-13-11-17(12-14-20)15-33-27-25-24(29-16-30-27)22-21(18-7-3-1-4-8-18)23(31-32-26(22)34-25)19-9-5-2-6-10-19/h1-14,16H,15H2
InChI Key CPKHXDWRUCPNSY-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C2=C3C4=C(C(=NC=N4)SCC5=CC=C(C=C5)Cl)SC3=NN=C2C6=CC=CC=C6
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Other Names Pyrimido[4',5':4,5]thieno[2,3-c]pyridazine, 8-{[(4-chlorophenyl)methyl]thio}-3,4-diphenyl-

In Other Databases

PubChem 6409916
ChemSpider 4917939