4-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

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Systematic / IUPAC Name: 4-[3-(Trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

ID: Reference6123

Other Names: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-[3-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-

Formula: C18H16F3N3O3S

Spectral Data

4-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione 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 11/29/2016 9:09:54 AM
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Identificators

InChI InChI=1S/C18H16F3N3O3S/c1-25-13-7-10(8-14(26-2)15(13)27-3)16-22-23-17(28)24(16)12-6-4-5-11(9-12)18(19,20)21/h4-9H,1-3H3,(H,23,28)
InChI Key QJKFBVZQCXPXEU-UHFFFAOYSA-N
Canonical SMILES COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2C3=CC=CC(=C3)C(F)(F)F
CAS
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Other Names 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-[3-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-

In Other Databases

ChemSpider 1249649
PubChem 1519786
ChEMBL CHEMBL1487890