2-[4-(2-butylsulfanylethoxy)phenyl]ethanenitrile

Systemtic Name: 2-[4-(2-butylsulfanylethoxy)phenyl]ethanenitrile Openeye Name: 2-[4-(2-butylsulfanylethoxy)phenyl]acetonitrile CAS Name: 2-[4-[2-(butylthio)ethoxy]phenyl]acetonitrile IUPAC Name: 2-[4-(2-butylsulfanylethoxy)phenyl]acetonitrile Traditional Name: 2-[4-[2-(butylthio)ethoxy]phenyl]acetonitrile Formula: C14H19NOS MolecularWeight: 249.37176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCOC1=CC=C(C=C1)CC#N

Isomeric SMILES

CCCCSCCOC1=CC=C(C=C1)CC#N

InChI

InChI=1S/C14H19NOS/c1-2-3-11-17-12-10-16-14-6-4-13(5-7-14)8-9-15/h4-7H,2-3,8,10-12H2,1H3