5-Methyl-2-phenyl-4-[3-phenyl-5-(2-thienylcarbonyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2,4-dihydro-3H-pyrazol-3-one

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Systematic / IUPAC Name: (4E)-5-Methyl-2-phenyl-4-[3-phenyl-5-(2-thienylcarbonyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2,4-dihydro-3H-pyrazol-3-one

ID: Reference4455

Other Names: 3-Methyl-1-phenyl-4-[(2E)-3-phenyl-5-(thiophen-2-ylcarbonyl)-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]-4,5-dihydro-1H-pyrazol-5-one

Formula: C23H16N4O2S2

Spectral Data

5-Methyl-2-phenyl-4-[3-phenyl-5-(2-thienylcarbonyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2,4-dihydro-3H-pyrazol-3-one 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/7/2016 1:37:30 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H16N4O2S2/c1-15-19(22(29)26(24-15)16-9-4-2-5-10-16)23-27(17-11-6-3-7-12-17)25-21(31-23)20(28)18-13-8-14-30-18/h2-14H,1H3/b23-19+
InChI Key BESTURYIFDEMMG-FCDQGJHFSA-N
Canonical SMILES CC1=NN(C(=O)C1=C2N(N=C(S2)C(=O)C3=CC=CS3)C4=CC=CC=C4)C5=CC=CC=C5
CAS
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Other Names 3-Methyl-1-phenyl-4-[(2E)-3-phenyl-5-(thiophen-2-ylcarbonyl)-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]-4,5-dihydro-1H-pyrazol-5-one

In Other Databases

ChemSpider 2094568
PubChem 2816221