6-Chloro-2-{[4-methyl-5-(3-thienylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,3-benzothiazole

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Systematic / IUPAC Name: 6-Chloro-2-[[4-methyl-5-(thiophen-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole

ID: Reference8666

Other Names: Benzothiazole, 6-chloro-2-[[4-methyl-5-(3-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]-

Formula: C15H11ClN4S3

Spectral Data

6-Chloro-2-{[4-methyl-5-(3-thienylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,3-benzothiazole 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 110
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/6/2019 1:22:00 PM
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Identificators

InChI InChI=1S/C15H11ClN4S3/c1-20-13(6-9-4-5-21-8-9)18-19-14(20)23-15-17-11-3-2-10(16)7-12(11)22-15/h2-5,7-8H,6H2,1H3
InChI Key SOESZISSFTVYMC-UHFFFAOYSA-N
Canonical SMILES CN1C(=NN=C1SC2=NC3=C(S2)C=C(C=C3)Cl)CC4=CSC=C4
CAS
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Other Names Benzothiazole, 6-chloro-2-[[4-methyl-5-(3-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]-

In Other Databases

PubChem 2811224
ChemSpider 2089636