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

Systemtic Name: (4-azanyl-3-cyano-phenyl) thiocyanate Openeye Name: (4-amino-3-cyano-phenyl) thiocyanate CAS Name: thiocyanic acid (4-amino-3-cyanophenyl) ester IUPAC Name: (4-amino-3-cyanophenyl) thiocyanate Traditional Name: thiocyanic acid (4-amino-3-cyano-phenyl) ester Formula: C8H5N3S MolecularWeight: 175.2104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC#N)C#N)N

Isomeric SMILES

C1=CC(=C(C=C1SC#N)C#N)N

InChI

InChI=1S/C8H5N3S/c9-4-6-3-7(12-5-10)1-2-8(6)11/h1-3H,11H2