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W0K

Summary
Name:~{N}-(2-sulfanylethyl)ethanamide
Formula:C4 H9 N O S
Formal charge:0
Formula weight:119.185 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(2-sulfanylethyl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6)
InChIKeyInChI1.06AXFZADXWLMXITO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)NCCS
SMILESCACTVS3.385CC(=O)NCCS
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)NCCS
SMILESOpenEye OEToolkits2.0.7CC(=O)NCCS

220472

PDB entries from 2024-05-29

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