3-(butylsulfanylmethyl)-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-(butylsulfanylmethyl)-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-(butylsulfanylmethyl)-4-fluoro-benzonitrile CAS Name: 3-[(butylthio)methyl]-4-fluorobenzonitrile IUPAC Name: 3-(butylsulfanylmethyl)-4-fluorobenzonitrile Traditional Name: 3-[(butylthio)methyl]-4-fluoro-benzonitrile Formula: C12H14FNS MolecularWeight: 223.309663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=C(C=CC(=C1)C#N)F

Isomeric SMILES

CCCCSCC1=C(C=CC(=C1)C#N)F

InChI

InChI=1S/C12H14FNS/c1-2-3-6-15-9-11-7-10(8-14)4-5-12(11)13/h4-5,7H,2-3,6,9H2,1H3