(2S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]hexanenitrile

Systemtic Name: (2S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]hexanenitrile Openeye Name: (2S)-2-[[(R)-p-tolylsulfinyl]methyl]hexanenitrile CAS Name: (2S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]hexanenitrile IUPAC Name: (2S)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]hexanenitrile Traditional Name: (2S)-2-[[(R)-p-tolylsulfinyl]methyl]hexanenitrile Formula: C14H19NOS MolecularWeight: 249.37176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CS(=O)C1=CC=C(C=C1)C)C#N

Isomeric SMILES

CCCC[C@H](C[S@@](=O)C1=CC=C(C=C1)C)C#N

InChI

InChI=1S/C14H19NOS/c1-3-4-5-13(10-15)11-17(16)14-8-6-12(2)7-9-14/h6-9,13H,3-5,11H2,1-2H3/t13-,17+/m0/s1