4-{2-[(2,5-Dichloroanilino)carbothioyl]carbohydrazonoyl}-2-methoxyphenyl 4-methylbenzenesulfonate

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Systematic / IUPAC Name: 4-[(E)-{[(2,5-Dichlorophenyl)carbamothioyl]hydrazono}methyl]-2-methoxyphenyl 4-methylbenzenesulfonate

ID: Reference5235

Other Names: Hydrazinecarbothioamide, N-(2,5-dichlorophenyl)-2-[(3-methoxy-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)methylene], (2E)-

Formula: C22H19Cl2N3O4S2

Spectral Data

4-{2-[(2,5-Dichloroanilino)carbothioyl]carbohydrazonoyl}-2-methoxyphenyl 4-methylbenzenesulfonate 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 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/22/2016 8:06:30 AM
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Identificators

InChI InChI=1S/C22H19Cl2N3O4S2/c1-14-3-7-17(8-4-14)33(28,29)31-20-10-5-15(11-21(20)30-2)13-25-27-22(32)26-19-12-16(23)6-9-18(19)24/h3-13H,1-2H3,(H2,26,27,32)/b25-13+
InChI Key PLSMGLCQMYCTSX-DHRITJCHSA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=S)NC3=C(C=CC(=C3)Cl)Cl)OC
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Other Names Hydrazinecarbothioamide, N-(2,5-dichlorophenyl)-2-[(3-methoxy-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)methylene], (2E)-

In Other Databases

PubChem 9566131
ChemSpider 7840849