3-[2-[4-(2-ethyl-2-morpholin-4-yl-hexanoyl)phenyl]sulfanylethoxy]propanenitrile

Systemtic Name: 3-[2-[4-(2-ethyl-2-morpholin-4-yl-hexanoyl)phenyl]sulfanylethoxy]propanenitrile Openeye Name: 3-[2-[4-(2-ethyl-2-morpholino-hexanoyl)phenyl]sulfanylethoxy]propanenitrile CAS Name: 3-[2-[[4-[2-ethyl-2-(4-morpholinyl)-1-oxohexyl]phenyl]thio]ethoxy]propanenitrile IUPAC Name: 3-[2-[4-(2-ethyl-2-morpholin-4-ylhexanoyl)phenyl]sulfanylethoxy]propanenitrile Traditional Name: 3-[2-[[4-(2-ethyl-2-morpholino-hexanoyl)phenyl]thio]ethoxy]propionitrile Formula: C23H34N2O3S MolecularWeight: 418.59266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(C(=O)C1=CC=C(C=C1)SCCOCCC#N)N2CCOCC2

Isomeric SMILES

CCCCC(CC)(C(=O)C1=CC=C(C=C1)SCCOCCC#N)N2CCOCC2

InChI

InChI=1S/C23H34N2O3S/c1-3-5-11-23(4-2,25-13-16-28-17-14-25)22(26)20-7-9-21(10-8-20)29-19-18-27-15-6-12-24/h7-10H,3-6,11,13-19H2,1-2H3