4-[2-(2-hydroxyethylsulfanyl)ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-(2-hydroxyethylsulfanyl)ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-(2-hydroxyethylsulfanyl)acetyl]benzonitrile CAS Name: 4-[2-(2-hydroxyethylthio)-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-(2-hydroxyethylsulfanyl)acetyl]benzonitrile Traditional Name: 4-[2-(2-hydroxyethylthio)acetyl]benzonitrile Formula: C11H11NO2S MolecularWeight: 221.27554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)CSCCO

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)CSCCO

InChI

InChI=1S/C11H11NO2S/c12-7-9-1-3-10(4-2-9)11(14)8-15-6-5-13/h1-4,13H,5-6,8H2