N1-(4-Chlorophenyl)-2-[{[(3,5-dimethylisoxazol-4-yl)sulfonyl]imino}(methylthio)methyl]hydrazine-1-carboxamide

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Systematic / IUPAC Name: Methyl 2-[(4-chlorophenyl)carbamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]hydrazinecarbimidothioate

ID: Reference4391

Other Names: Hydrazinecarboximidothioic acid, 2-{[(4-chlorophenyl)amino]carbonyl}-N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl], methyl ester

Formula: C14H16ClN5O4S2

Spectral Data

N1-(4-Chlorophenyl)-2-[{[(3,5-dimethylisoxazol-4-yl)sulfonyl]imino}(methylthio)methyl]hydrazine-1-carboxamide 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 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/31/2016 9:19:14 AM
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Identificators

InChI InChI=1S/C14H16ClN5O4S2/c1-8-12(9(2)24-19-8)26(22,23)20-14(25-3)18-17-13(21)16-11-6-4-10(15)5-7-11/h4-7H,1-3H3,(H,18,20)(H2,16,17,21)
InChI Key WLIWNCUPXBJRPA-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=NO1)C)S(=O)(=O)N=C(NNC(=O)NC2=CC=C(C=C2)Cl)SC
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Other Names Hydrazinecarboximidothioic acid, 2-{[(4-chlorophenyl)amino]carbonyl}-N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl], methyl ester

In Other Databases

PubChem 6037104
ChemSpider 2084268