N'-{2-Cyano-1-[(2,6-dichlorobenzyl)sulfanyl]-3-oxo-1-butenyl}-N,N-dimethyliminoformamide

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Systematic / IUPAC Name: N'-{(1E)-2-Cyano-1-[(2,6-dichlorobenzyl)sulfanyl]-3-oxo-1-buten-1-yl}-N,N-dimethylimidoformamide

ID: Reference3660

Other Names: Methanimidamide, N'-((1E)-2-cyano-1-{[(2,6-dichlorophenyl)methyl]thio}-3-oxo-1-buten-1-yl)-N,N-dimethyl-

Formula: C15H15Cl2N3OS

Spectral Data

N'-{2-Cyano-1-[(2,6-dichlorobenzyl)sulfanyl]-3-oxo-1-butenyl}-N,N-dimethyliminoformamide 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 249
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/29/2016 1:11:36 PM
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Identificators

InChI InChI=1S/C15H15Cl2N3OS/c1-10(21)11(7-18)15(19-9-20(2)3)22-8-12-13(16)5-4-6-14(12)17/h4-6,9H,8H2,1-3H3/b15-11+,19-9+
InChI Key ATAVPZMWOOWDTH-UOTFLDJSSA-N
Canonical SMILES CC(=O)C(=C(N=CN(C)C)SCC1=C(C=CC=C1Cl)Cl)C#N
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Other Names Methanimidamide, N'-((1E)-2-cyano-1-{[(2,6-dichlorophenyl)methyl]thio}-3-oxo-1-buten-1-yl)-N,N-dimethyl-

In Other Databases

ChemSpider 7857656
PubChem 9583509