Ethyl 2-[(5-oxo-4,6-diphenyl-4,5-dihydro-1,2,4-triazin-3-yl)thio]acetate

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Systematic / IUPAC Name: Ethyl [(5-oxo-4,6-diphenyl-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate

ID: Reference4162

Other Names: Acetic acid, 2-[(4,5-dihydro-5-oxo-4,6-diphenyl-1,2,4-triazin-3-yl)thio]-, ethyl ester;
Ethyl 2-[(5-oxo-4,6-diphenyl-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate

Formula: C19H17N3O3S

Spectral Data

Ethyl 2-[(5-oxo-4,6-diphenyl-4,5-dihydro-1,2,4-triazin-3-yl)thio]acetate 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 214
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/11/2016 9:23:24 AM
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Identificators

InChI InChI=1S/C19H17N3O3S/c1-2-25-16(23)13-26-19-21-20-17(14-9-5-3-6-10-14)18(24)22(19)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChI Key LCEWHOWQVDUWLB-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)CSC1=NN=C(C(=O)N1C2=CC=CC=C2)C3=CC=CC=C3
CAS
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Other Names Acetic acid, 2-[(4,5-dihydro-5-oxo-4,6-diphenyl-1,2,4-triazin-3-yl)thio]-, ethyl ester;
Ethyl 2-[(5-oxo-4,6-diphenyl-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate

In Other Databases

PubChem 2825644
ChemSpider 2103775