4-Methyl-5-[(phenylthio)methyl]-4H-1,2,4-triazole-3-thiol

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Systematic / IUPAC Name: 4-Methyl-5-[(phenylsulfanyl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

ID: Reference3943

Other Names: 4-Methyl-5-[(phenylthio)methyl]-4H-1,2,4-triazole-3-thiol

Formula: C10H11N3S2

Spectral Data

4-Methyl-5-[(phenylthio)methyl]-4H-1,2,4-triazole-3-thiol 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 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/24/2016 9:17:06 AM
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Identificators

InChI InChI=1S/C10H11N3S2/c1-13-9(11-12-10(13)14)7-15-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14)
InChI Key VAAKURABAPVEEN-UHFFFAOYSA-N
Canonical SMILES CN1C(=NNC1=S)CSC2=CC=CC=C2
CAS
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Other Names 4-Methyl-5-[(phenylthio)methyl]-4H-1,2,4-triazole-3-thiol

In Other Databases

ChemSpider 2098833
PubChem 2820604