3-(Benzylthio)-4-methyl-5-[(2-thienylthio)methyl]-4H-1,2,4-triazole

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Systematic / IUPAC Name: 3-(Benzylsulfanyl)-4-methyl-5-[(2-thienylsulfanyl)methyl]-4H-1,2,4-triazole

ID: Reference6759

Other Names: 4H-1,2,4-Triazole, 4-methyl-3-[(phenylmethyl)thio]-5-[(2-thienylthio)methyl]-

Formula: C15H15N3S3

Spectral Data

3-(Benzylthio)-4-methyl-5-[(2-thienylthio)methyl]-4H-1,2,4-triazole 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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/28/2017 8:55:37 AM
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Identificators

InChI InChI=1S/C15H15N3S3/c1-18-13(11-20-14-8-5-9-19-14)16-17-15(18)21-10-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3
InChI Key RRRGBWJQGJNXRM-UHFFFAOYSA-N
Canonical SMILES CN1C(=NN=C1SCC2=CC=CC=C2)CSC3=CC=CS3
CAS
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Other Names 4H-1,2,4-Triazole, 4-methyl-3-[(phenylmethyl)thio]-5-[(2-thienylthio)methyl]-

In Other Databases

PubChem 2820691
ChemSpider 2098920