4-[4-(Benzyloxy)phenyl]-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4,5-dihydro-1H-1,2,4-triazol-5-one

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Systematic / IUPAC Name: 4-[4-(Benzyloxy)phenyl]-5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

ID: Reference3686

Other Names: 4-[4-(Benzyloxy)phenyl]-5-[(5-nitro-1,3-thiazol-2-yl)thio]-2,4-dihydro-3H-1,2,4-triazol-3-one

Formula: C18H13N5O4S2

Spectral Data

4-[4-(Benzyloxy)phenyl]-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4,5-dihydro-1H-1,2,4-triazol-5-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 2
No. of Spectra 237
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/3/2016 12:14:11 PM
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Identificators

InChI InChI=1S/C18H13N5O4S2/c24-16-20-21-17(29-18-19-10-15(28-18)23(25)26)22(16)13-6-8-14(9-7-13)27-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,24)
InChI Key OWFFATZZLMFXGR-UHFFFAOYSA-N
Canonical SMILES
CAS
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Other Names 4-[4-(Benzyloxy)phenyl]-5-[(5-nitro-1,3-thiazol-2-yl)thio]-2,4-dihydro-3H-1,2,4-triazol-3-one

In Other Databases

ChEMBL CHEMBL209391
PubChem 2747116
ChemSpider 2028565