3-({[5-(2-Fluorophenyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione

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Systematic / IUPAC Name: 3-({[5-(2-Fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione

ID: Reference4525

Other Names: 1,3,4-Thiadiazole-2(3H)-thione, 3-({[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio}methyl)-5-(methylthio)-

Formula: C12H10FN5S4

Spectral Data

3-({[5-(2-Fluorophenyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione 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 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/12/2016 12:39:08 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H10FN5S4/c1-20-11-17-18(12(19)22-11)6-21-10-14-9(15-16-10)7-4-2-3-5-8(7)13/h2-5H,6H2,1H3,(H,14,15,16)
InChI Key YUFZMVHOTBVOIU-UHFFFAOYSA-N
Canonical SMILES CSC1=NN(C(=S)S1)CSC2=NNC(=N2)C3=CC=CC=C3F
CAS
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Other Names 1,3,4-Thiadiazole-2(3H)-thione, 3-({[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio}methyl)-5-(methylthio)-

In Other Databases

ChemSpider 2026146
PubChem 2744656