4-[3-(2-hydroxyethylsulfanyl)propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-(2-hydroxyethylsulfanyl)propoxy]benzenecarbonitrile Openeye Name: 4-[3-(2-hydroxyethylsulfanyl)propoxy]benzonitrile CAS Name: 4-[3-(2-hydroxyethylthio)propoxy]benzonitrile IUPAC Name: 4-[3-(2-hydroxyethylsulfanyl)propoxy]benzonitrile Traditional Name: 4-[3-(2-hydroxyethylthio)propoxy]benzonitrile Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCCCSCCO

Isomeric SMILES

C1=CC(=CC=C1C#N)OCCCSCCO

InChI

InChI=1S/C12H15NO2S/c13-10-11-2-4-12(5-3-11)15-7-1-8-16-9-6-14/h2-5,14H,1,6-9H2