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CHEBI:112378 - 2-[5-(4-chlorophenyl)-1,3,5-dithiazinan-2-ylidene]-2-diethoxyphosphorylacetonitrile

ChEBI IDCHEBI:112378
ChEBI Name2-[5-(4-chlorophenyl)-1,3,5-dithiazinan-2-ylidene]-2-diethoxyphosphorylacetonitrile
Stars
DownloadsMolfile
FormulaC15H18ClN2O3PS2
Net Charge0
Average Mass404.881
Monoisotopic Mass404.01850
SMILESCCOP(=O)(OCC)C(C#N)=C1SCN(c2ccc(Cl)cc2)CS1
InChIInChI=1S/C15H18ClN2O3PS2/c1-3-20-22(19,21-4-2)14(9-17)15-23-10-18(11-24-15)13-7-5-12(16)6-8-13/h5-8H,3-4,10-11H2,1-2H3
InChIKeyZALVDCZZODGNLH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-[5-(4-chlorophenyl)-1,3,5-dithiazinan-2-ylidene]-2-diethoxyphosphorylacetonitrile (CHEBI:112378) is a dialkylarylamine (CHEBI:23665)
2-[5-(4-chlorophenyl)-1,3,5-dithiazinan-2-ylidene]-2-diethoxyphosphorylacetonitrile (CHEBI:112378) is a tertiary amino compound (CHEBI:50996)
Manual XrefsDatabases
LSM-23790LINCS