S-[3-(4-Chlorophenyl)-1-[(methylamino)carbonyl]-5-(methylthio)-1H-pyrazol-4-yl] N-methylcarbamothioate

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Systematic / IUPAC Name: S-[3-(4-Chlorophenyl)-1-(methylcarbamoyl)-5-(methylsulfanyl)-1H-pyrazol-4-yl] methylcarbamothioate

ID: Reference4222

Other Names: Carbamothioic acid, N-methyl, S-[3-(4-chlorophenyl)-1-[(methylamino)carbonyl]-5-(methylthio)-1H-pyrazol-4-yl] ester

Formula: C14H15ClN4O2S2

Spectral Data

S-[3-(4-Chlorophenyl)-1-[(methylamino)carbonyl]-5-(methylthio)-1H-pyrazol-4-yl] N-methylcarbamothioate 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2016 8:49:56 AM
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Identificators

InChI InChI=1S/C14H15ClN4O2S2/c1-16-13(20)19-12(22-3)11(23-14(21)17-2)10(18-19)8-4-6-9(15)7-5-8/h4-7H,1-3H3,(H,16,20)(H,17,21)
InChI Key VUGREUGBSZUMGI-UHFFFAOYSA-N
Canonical SMILES CNC(=O)N1C(=C(C(=N1)C2=CC=C(C=C2)Cl)SC(=O)NC)SC
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Other Names Carbamothioic acid, N-methyl, S-[3-(4-chlorophenyl)-1-[(methylamino)carbonyl]-5-(methylthio)-1H-pyrazol-4-yl] ester

In Other Databases

PubChem 2727223
ChemSpider 2009275