Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H18N4O3S2/c1-3-25-17-16(26-18(21-17)15-6-4-5-11-19-15)12-20-22-27(23,24)14-9-7-13(2)8-10-14/h4-12,22H,3H2,1-2H3/b20-12+
SMILES	CCOc1nc(sc1/C=N/NS(=O)(=O)c1ccc(cc1)C)c1ccccn1
InChI Key	FMENTXWLFCBOIS-UDWIEESQSA-N
Molecular Formula	C18H18N4O3S2
Exact Mass	402.491 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FMENTXWLFCBOIS-UDWIEESQSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/FMENTXWLFCBOIS-UDWIEESQSA-N/CHMO0000470
Version
Author	Emma Freiberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:54:41.853178
MetadataModified	2024-09-07T22:26:42.732822
MetadataPublished	2022-07-04

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.