(2S)-2-(phenylmethylsulfanyl)pentanenitrile

Systemtic Name: (2S)-2-(phenylmethylsulfanyl)pentanenitrile Openeye Name: (2S)-2-benzylsulfanylpentanenitrile CAS Name: (2S)-2-(phenylmethylthio)pentanenitrile IUPAC Name: (2S)-2-benzylsulfanylpentanenitrile Traditional Name: (2S)-2-(benzylthio)valeronitrile Formula: C12H15NS MolecularWeight: 205.3192

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)SCC1=CC=CC=C1

Isomeric SMILES

CCC[C@@H](C#N)SCC1=CC=CC=C1

InChI

InChI=1S/C12H15NS/c1-2-6-12(9-13)14-10-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,10H2,1H3/t12-/m0/s1