(4-ethanoylpyridin-3-yl) thiocyanate

Systemtic Name: (4-ethanoylpyridin-3-yl) thiocyanate Openeye Name: (4-acetyl-3-pyridyl) thiocyanate CAS Name: thiocyanic acid (4-acetyl-3-pyridinyl) ester IUPAC Name: (4-acetylpyridin-3-yl) thiocyanate Traditional Name: thiocyanic acid (4-acetyl-3-pyridyl) ester Formula: C8H6N2OS MolecularWeight: 178.21104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=NC=C1)SC#N

Isomeric SMILES

CC(=O)C1=C(C=NC=C1)SC#N

InChI

InChI=1S/C8H6N2OS/c1-6(11)7-2-3-10-4-8(7)12-5-9/h2-4H,1H3