1-(1,3-Benzodioxol-5-yl)-2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-1-ethanone

enlarge

Systematic / IUPAC Name: 1-(1,3-Benzodioxol-5-yl)-2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]ethanone

ID: Reference4122

Other Names: 1-(2H-1,3-Benzodioxol-5-yl)-2-[(5,6-dichloro-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-one;
Ethanone, 1-(1,3-benzodioxol-5-yl)-2-[(5,6-dichloro-1H-benzimidazol-2-yl)thio]-

Formula: C16H10Cl2N2O3S

Spectral Data

1-(1,3-Benzodioxol-5-yl)-2-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-1-ethanone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

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 3/9/2016 12:38:04 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C16H10Cl2N2O3S/c17-9-4-11-12(5-10(9)18)20-16(19-11)24-6-13(21)8-1-2-14-15(3-8)23-7-22-14/h1-5H,6-7H2,(H,19,20)
InChI Key RYKICDRIZXRCAS-UHFFFAOYSA-N
Canonical SMILES C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC4=CC(=C(C=C4N3)Cl)Cl
CAS
Splash
Other Names 1-(2H-1,3-Benzodioxol-5-yl)-2-[(5,6-dichloro-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-one;
Ethanone, 1-(1,3-benzodioxol-5-yl)-2-[(5,6-dichloro-1H-benzimidazol-2-yl)thio]-

In Other Databases

ChEMBL CHEMBL1412621
ChemSpider 2092879
PubChem 2814490