(4-azanyl-2-chloranyl-3-cyano-phenyl) thiocyanate

Systemtic Name: (4-azanyl-2-chloranyl-3-cyano-phenyl) thiocyanate Openeye Name: (4-amino-2-chloro-3-cyano-phenyl) thiocyanate CAS Name: thiocyanic acid (4-amino-2-chloro-3-cyanophenyl) ester IUPAC Name: (4-amino-2-chloro-3-cyanophenyl) thiocyanate Traditional Name: thiocyanic acid (4-amino-2-chloro-3-cyano-phenyl) ester Formula: C8H4ClN3S MolecularWeight: 209.65546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1N)C#N)Cl)SC#N

Isomeric SMILES

C1=CC(=C(C(=C1N)C#N)Cl)SC#N

InChI

InChI=1S/C8H4ClN3S/c9-8-5(3-10)6(12)1-2-7(8)13-4-11/h1-2H,12H2