2-[4-[2-(2-hydroxyethylsulfanyl)ethoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[2-(2-hydroxyethylsulfanyl)ethoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[2-(2-hydroxyethylsulfanyl)ethoxy]phenyl]acetonitrile CAS Name: 2-[4-[2-(2-hydroxyethylthio)ethoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[2-(2-hydroxyethylsulfanyl)ethoxy]phenyl]acetonitrile Traditional Name: 2-[4-[2-(2-hydroxyethylthio)ethoxy]phenyl]acetonitrile Formula: C12H15NO2S MolecularWeight: 237.318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)OCCSCCO

Isomeric SMILES

C1=CC(=CC=C1CC#N)OCCSCCO

InChI

InChI=1S/C12H15NO2S/c13-6-5-11-1-3-12(4-2-11)15-8-10-16-9-7-14/h1-4,14H,5,7-10H2