3-(4-butylsulfanylphenyl)benzenecarbonitrile

Systemtic Name: 3-(4-butylsulfanylphenyl)benzenecarbonitrile Openeye Name: 3-(4-butylsulfanylphenyl)benzonitrile CAS Name: 3-[4-(butylthio)phenyl]benzonitrile IUPAC Name: 3-(4-butylsulfanylphenyl)benzonitrile Traditional Name: 3-[4-(butylthio)phenyl]benzonitrile Formula: C17H17NS MolecularWeight: 267.38858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H17NS/c1-2-3-11-19-17-9-7-15(8-10-17)16-6-4-5-14(12-16)13-18/h4-10,12H,2-3,11H2,1H3