3-phenylsulfanylpentanenitrile

Systemtic Name: 3-phenylsulfanylpentanenitrile Openeye Name: 3-phenylsulfanylpentanenitrile CAS Name: 3-(phenylthio)pentanenitrile IUPAC Name: 3-phenylsulfanylpentanenitrile Traditional Name: 3-(phenylthio)valeronitrile Formula: C11H13NS MolecularWeight: 191.29262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)SC1=CC=CC=C1

Isomeric SMILES

CCC(CC#N)SC1=CC=CC=C1

InChI

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