N-1-{[4-(2,6-Dicyanophenyl)piperazino](methylthio)methylidene}benzene-1-sulfonamide

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Systematic / IUPAC Name: Methyl 4-(2,6-dicyanophenyl)-N-(phenylsulfonyl)-1-piperazinecarbimidothioate

ID: Reference6548

Other Names: 1-Piperazinecarboximidothioic acid, 4-(2,6-dicyanophenyl)-N-(phenylsulfonyl), methyl ester

Formula: C20H19N5O2S2

Spectral Data

N-1-{[4-(2,6-Dicyanophenyl)piperazino](methylthio)methylidene}benzene-1-sulfonamide 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 Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 1845
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers IT; FT
Last Modification 4/11/2017 10:33:56 AM
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Identificators

InChI InChI=1S/C20H19N5O2S2/c1-28-20(23-29(26,27)18-8-3-2-4-9-18)25-12-10-24(11-13-25)19-16(14-21)6-5-7-17(19)15-22/h2-9H,10-13H2,1H3/b23-20-
InChI Key QLQODAHBHZETRI-ATJXCDBQSA-N
Canonical SMILES CSC(=NS(=O)(=O)C1=CC=CC=C1)N2CCN(CC2)C3=C(C=CC=C3C#N)C#N
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Other Names 1-Piperazinecarboximidothioic acid, 4-(2,6-dicyanophenyl)-N-(phenylsulfonyl), methyl ester

In Other Databases

ChemSpider 4756830
PubChem 5938571