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Ethyl 4-[(3,4-diphenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]-1-piperazinecarboxylate
SpectraBase Compound ID JnmwiUcX0vH
InChI InChI=1S/C22H25N5O2S/c1-2-29-22(28)25-15-13-24(14-16-25)17-26-21(30)27(19-11-7-4-8-12-19)20(23-26)18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3
InChIKey WDXAWFCEWXFWDF-UHFFFAOYSA-N
Mol Weight 423.54 g/mol
Molecular Formula C22H25N5O2S
Exact Mass 423.172896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDwtdELuRM1
Name Ethyl 4-[(3,4-diphenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]-1-piperazinecarboxylate
Alternate Name(s) 4-(3,4-Diphenyl-5-thioxo-4,5-dihydro-[1,2,4]triazol-1-ylmethyl)-piperazine-1-carboxylic acid ethyl ester 4-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinecarboxylic acid ethyl ester 4-[(3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylic acid ethyl ester Ethyl 4-[(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylate Ethyl 4-[(3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylate
CAS Registry Number 339336-95-7
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Formula C22H25N5O2S
InChI InChI=1S/C22H25N5O2S/c1-2-29-22(28)25-15-13-24(14-16-25)17-26-21(30)27(19-11-7-4-8-12-19)20(23-26)18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3
InChIKey WDXAWFCEWXFWDF-UHFFFAOYSA-N
Molecular Weight 423.535 g/mol
SMILES c1ccc(C2=NN(C(N2c2ccccc2)=S)CN2CCN(CC2)C(=O)OCC)cc1
SPLASH splash10-00di-2920000000-e2dade4b63a2b40616b3
Wiley ID 1462294