3-[(2-ethoxy-5-octyl-1,3-dithiol-4-yl)sulfanyl]propanenitrile

Systemtic Name: 3-[(2-ethoxy-5-octyl-1,3-dithiol-4-yl)sulfanyl]propanenitrile Openeye Name: 3-[(2-ethoxy-5-octyl-1,3-dithiol-4-yl)sulfanyl]propanenitrile CAS Name: 3-[(2-ethoxy-5-octyl-1,3-dithiol-4-yl)thio]propanenitrile IUPAC Name: 3-[(2-ethoxy-5-octyl-1,3-dithiol-4-yl)sulfanyl]propanenitrile Traditional Name: 3-[(2-ethoxy-5-octyl-1,3-dithiol-4-yl)thio]propionitrile Formula: C16H27NOS3 MolecularWeight: 345.58668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(SC(S1)OCC)SCCC#N

Isomeric SMILES

CCCCCCCCC1=C(SC(S1)OCC)SCCC#N

InChI

InChI=1S/C16H27NOS3/c1-3-5-6-7-8-9-11-14-15(19-13-10-12-17)21-16(20-14)18-4-2/h16H,3-11,13H2,1-2H3