(4-chlorophenyl)methyl thiocyanate

Systemtic Name: (4-chlorophenyl)methyl thiocyanate Openeye Name: (4-chlorophenyl)methyl thiocyanate CAS Name: thiocyanic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl thiocyanate Traditional Name: thiocyanic acid (4-chlorobenzyl) ester Formula: C8H6ClNS MolecularWeight: 183.65794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC#N)Cl

InChI

InChI=1S/C8H6ClNS/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4H,5H2