2-(4-methylsulfanylphenyl)hexanenitrile

Systemtic Name: 2-(4-methylsulfanylphenyl)hexanenitrile Openeye Name: 2-(4-methylsulfanylphenyl)hexanenitrile CAS Name: 2-[4-(methylthio)phenyl]hexanenitrile IUPAC Name: 2-(4-methylsulfanylphenyl)hexanenitrile Traditional Name: 2-[4-(methylthio)phenyl]hexanenitrile Formula: C13H17NS MolecularWeight: 219.34578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#N)C1=CC=C(C=C1)SC

Isomeric SMILES

CCCCC(C#N)C1=CC=C(C=C1)SC

InChI

InChI=1S/C13H17NS/c1-3-4-5-12(10-14)11-6-8-13(15-2)9-7-11/h6-9,12H,3-5H2,1-2H3