2-[2-(methylsulfanylmethyl)phenyl]propanenitrile

Systemtic Name: 2-[2-(methylsulfanylmethyl)phenyl]propanenitrile Openeye Name: 2-[2-(methylsulfanylmethyl)phenyl]propanenitrile CAS Name: 2-[2-[(methylthio)methyl]phenyl]propanenitrile IUPAC Name: 2-[2-(methylsulfanylmethyl)phenyl]propanenitrile Traditional Name: 2-[2-[(methylthio)methyl]phenyl]propionitrile Formula: C11H13NS MolecularWeight: 191.29262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC=CC=C1CSC

Isomeric SMILES

CC(C#N)C1=CC=CC=C1CSC

InChI

InChI=1S/C11H13NS/c1-9(7-12)11-6-4-3-5-10(11)8-13-2/h3-6,9H,8H2,1-2H3