5-[(5-Mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide

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Systematic / IUPAC Name: 5,5'-Methylenebis(4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione)

ID: Reference8632

Other Names: 4-Phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione;
4-Phenyl-3-[(4-phenyl-5-thioxo(1,2,4-triazolin-3-yl))methyl]-1,2,4-triazoline-5-thione;
4-Phenyl-5-[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione;
5,5'-Methanediylbis(4-phenyl-4H-1,2,4-triazole-3-thiol)

Formula: C17H14N6S2

Spectral Data

5-[(5-Mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide 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 257
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/6/2019 9:03:22 AM
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Identificators

InChI InChI=1S/C17H14N6S2/c24-16-20-18-14(22(16)12-7-3-1-4-8-12)11-15-19-21-17(25)23(15)13-9-5-2-6-10-13/h1-10H,11H2,(H,20,24)(H,21,25)
InChI Key PWXHHWGVQJHEPU-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)N2C(=NNC2=S)CC3=NNC(=S)N3C4=CC=CC=C4
CAS 21776794
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Other Names 4-Phenyl-3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione;
4-Phenyl-3-[(4-phenyl-5-thioxo(1,2,4-triazolin-3-yl))methyl]-1,2,4-triazoline-5-thione;
4-Phenyl-5-[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione;
5,5'-Methanediylbis(4-phenyl-4H-1,2,4-triazole-3-thiol)

In Other Databases

ChEMBL CHEMBL1470216
ChemSpider 2096494
PubChem 2818226