N1-(3-Chlorophenyl)-2-[(5-{[(2-anilino-2-oxoethyl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

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Systematic / IUPAC Name: 2-[(5-{[(2-Anilino-2-oxoethyl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide

ID: Reference4800

Other Names: N-(3-Chlorophenyl)-2-{[4-methyl-5-({[(phenylcarbamoyl)methyl]sulfanyl}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide;
Acetamide, 2-({[5-({2-[(3-chlorophenyl)amino]-2-oxoethyl}thio)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}thio)-N-phenyl-

Formula: C20H20ClN5O2S2

Spectral Data

N1-(3-Chlorophenyl)-2-[(5-{[(2-anilino-2-oxoethyl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide 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 5/11/2016 2:20:44 PM
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Identificators

InChI InChI=1S/C20H20ClN5O2S2/c1-26-17(11-29-12-18(27)22-15-7-3-2-4-8-15)24-25-20(26)30-13-19(28)23-16-9-5-6-14(21)10-16/h2-10H,11-13H2,1H3,(H,22,27)(H,23,28)
InChI Key HUOHLNYREZFFSQ-UHFFFAOYSA-N
Canonical SMILES CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Cl)CSCC(=O)NC3=CC=CC=C3
CAS
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Other Names N-(3-Chlorophenyl)-2-{[4-methyl-5-({[(phenylcarbamoyl)methyl]sulfanyl}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide;
Acetamide, 2-({[5-({2-[(3-chlorophenyl)amino]-2-oxoethyl}thio)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}thio)-N-phenyl-

In Other Databases

PubChem 2822783
ChEMBL CHEMBL203118
ChemSpider 2100996