5-[(1,3-Benzothiazol-2-ylmethyl)sulfanyl]-4-(2-furylmethyl)-4H-1,2,4-triazol-3-ol

enlarge

Systematic / IUPAC Name: 5-[(1,3-Benzothiazol-2-ylmethyl)sulfanyl]-4-(2-furylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

ID: Reference4125

Other Names:

Formula: C15H12N4O2S2

Spectral Data

5-[(1,3-Benzothiazol-2-ylmethyl)sulfanyl]-4-(2-furylmethyl)-4H-1,2,4-triazol-3-ol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

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 3/9/2016 1:50:28 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C15H12N4O2S2/c20-14-17-18-15(19(14)8-10-4-3-7-21-10)22-9-13-16-11-5-1-2-6-12(11)23-13/h1-7H,8-9H2,(H,17,20)
InChI Key VOLYIZDFBJYHJA-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)N=C(S2)CSC3=NNC(=O)N3CC4=CC=CO4
CAS
Splash
Other Names

In Other Databases

PubChem 2814821
ChEMBL CHEMBL579149
ChemSpider 2093206