4-[3-[2-hydroxyethyl(3-propylsulfanylpropyl)amino]propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[2-hydroxyethyl(3-propylsulfanylpropyl)amino]propoxy]benzenecarbonitrile Openeye Name: 4-[3-[2-hydroxyethyl(3-propylsulfanylpropyl)amino]propoxy]benzonitrile CAS Name: 4-[3-[2-hydroxyethyl-[3-(propylthio)propyl]amino]propoxy]benzonitrile IUPAC Name: 4-[3-[2-hydroxyethyl(3-propylsulfanylpropyl)amino]propoxy]benzonitrile Traditional Name: 4-[3-[2-hydroxyethyl-[3-(propylthio)propyl]amino]propoxy]benzonitrile Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCN(CCCOC1=CC=C(C=C1)C#N)CCO

Isomeric SMILES

CCCSCCCN(CCCOC1=CC=C(C=C1)C#N)CCO

InChI

InChI=1S/C18H28N2O2S/c1-2-14-23-15-4-10-20(11-12-21)9-3-13-22-18-7-5-17(16-19)6-8-18/h5-8,21H,2-4,9-15H2,1H3