3-(3-butylsulfanylpropoxy)benzenecarbonitrile

Systemtic Name: 3-(3-butylsulfanylpropoxy)benzenecarbonitrile Openeye Name: 3-(3-butylsulfanylpropoxy)benzonitrile CAS Name: 3-[3-(butylthio)propoxy]benzonitrile IUPAC Name: 3-(3-butylsulfanylpropoxy)benzonitrile Traditional Name: 3-[3-(butylthio)propoxy]benzonitrile Formula: C14H19NOS MolecularWeight: 249.37176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCOC1=CC=CC(=C1)C#N

Isomeric SMILES

CCCCSCCCOC1=CC=CC(=C1)C#N

InChI

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