4-{[5-(Benzylthio)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

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Systematic / IUPAC Name: 4-{[5-(Benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-6-(trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one

ID: Reference4700

Other Names: 2H-1,4-Benzothiazin-3(4H)-one, 4-({4-methyl-5-[(phenylmethyl)thio]-4H-1,2,4-triazol-3-yl}methyl)-6-(trifluoromethyl)-

Formula: C20H17F3N4OS2

Spectral Data

4-{[5-(Benzylthio)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-3-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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/28/2016 10:27:15 AM
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Identificators

InChI InChI=1S/C20H17F3N4OS2/c1-26-17(24-25-19(26)30-11-13-5-3-2-4-6-13)10-27-15-9-14(20(21,22)23)7-8-16(15)29-12-18(27)28/h2-9H,10-12H2,1H3
InChI Key UUIQUQBQYHQZKF-UHFFFAOYSA-N
Canonical SMILES CN1C(=NN=C1SCC2=CC=CC=C2)CN3C(=O)CSC4=C3C=C(C=C4)C(F)(F)F
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Other Names 2H-1,4-Benzothiazin-3(4H)-one, 4-({4-methyl-5-[(phenylmethyl)thio]-4H-1,2,4-triazol-3-yl}methyl)-6-(trifluoromethyl)-

In Other Databases

ChemSpider 2100552
PubChem 2822336