2-[4-(2-sulfanylethynyl)phenyl]ethanenitrile

Systemtic Name: 2-[4-(2-sulfanylethynyl)phenyl]ethanenitrile Openeye Name: 2-[4-(2-sulfanylethynyl)phenyl]acetonitrile CAS Name: 2-[4-(2-mercaptoethynyl)phenyl]acetonitrile IUPAC Name: 2-[4-(2-sulfanylethynyl)phenyl]acetonitrile Traditional Name: 2-[4-(2-mercaptoethynyl)phenyl]acetonitrile Formula: C10H7NS MolecularWeight: 173.23428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)C#CS

Isomeric SMILES

C1=CC(=CC=C1CC#N)C#CS

InChI

InChI=1S/C10H7NS/c11-7-5-9-1-3-10(4-2-9)6-8-12/h1-4,12H,5H2