2-(4-Chlorobenzoyl)-3-{[1-(4-chlorophenyl)-1-methyl-1-oxo-λ6-sulfanylidene]amino}acrylonitrile

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Systematic / IUPAC Name: (2E)-2-(4-Chlorobenzoyl)-3-{[(4-chlorophenyl)(methyl)oxido-λ6-sulfanylidene]amino}acrylonitrile

ID: Reference4484

Other Names: Benzenepropanenitrile, 4-chloro-α-({[(4-chlorophenyl)methyloxidosulfanylidene]amino}methylene)-β-oxo-, (αE)-

Formula: C17H12Cl2N2O2S

Spectral Data

2-(4-Chlorobenzoyl)-3-{[1-(4-chlorophenyl)-1-methyl-1-oxo-λ6-sulfanylidene]amino}acrylonitrile 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 4/11/2016 7:10:01 AM
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Identificators

InChI InChI=1S/C17H12Cl2N2O2S/c1-24(23,16-8-6-15(19)7-9-16)21-11-13(10-20)17(22)12-2-4-14(18)5-3-12/h2-9,11H,1H3/b13-11+
InChI Key ULEPSQCXGCIFKR-ACCUITESSA-N
Canonical SMILES CS(=NC=C(C#N)C(=O)C1=CC=C(C=C1)Cl)(=O)C2=CC=C(C=C2)Cl
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Other Names Benzenepropanenitrile, 4-chloro-α-({[(4-chlorophenyl)methyloxidosulfanylidene]amino}methylene)-β-oxo-, (αE)-

In Other Databases

ChemSpider 2098259
PubChem 2820029