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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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