3-(2-butylsulfanylphenyl)pentanedinitrile

Systemtic Name: 3-(2-butylsulfanylphenyl)pentanedinitrile Openeye Name: 3-(2-butylsulfanylphenyl)pentanedinitrile CAS Name: 3-[2-(butylthio)phenyl]pentanedinitrile IUPAC Name: 3-(2-butylsulfanylphenyl)pentanedinitrile Traditional Name: 3-[2-(butylthio)phenyl]glutaronitrile Formula: C15H18N2S MolecularWeight: 258.38182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=CC=C1C(CC#N)CC#N

Isomeric SMILES

CCCCSC1=CC=CC=C1C(CC#N)CC#N

InChI

InChI=1S/C15H18N2S/c1-2-3-12-18-15-7-5-4-6-14(15)13(8-10-16)9-11-17/h4-7,13H,2-3,8-9,12H2,1H3