4-phenyl-5-sulfanylidene-hexanenitrile

Systemtic Name: 4-phenyl-5-sulfanylidene-hexanenitrile Openeye Name: 4-phenyl-5-thioxo-hexanenitrile CAS Name: 4-phenyl-5-sulfanylidenehexanenitrile IUPAC Name: 4-phenyl-5-sulfanylidenehexanenitrile Traditional Name: 4-phenyl-5-thioxo-hexanenitrile Formula: C12H13NS MolecularWeight: 203.30332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=S)C(CCC#N)C1=CC=CC=C1

Isomeric SMILES

CC(=S)C(CCC#N)C1=CC=CC=C1

InChI

InChI=1S/C12H13NS/c1-10(14)12(8-5-9-13)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8H2,1H3