(5-bromanylpyridin-3-yl)-isothiocyanato-methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-isothiocyanato-methanone Openeye Name: 5-bromopyridine-3-carbonyl isothiocyanate CAS Name: (5-bromo-3-pyridinyl)-isothiocyanatomethanone IUPAC Name: 5-bromopyridine-3-carbonyl isothiocyanate Traditional Name: (5-bromo-3-pyridyl)-isothiocyanato-methanone Formula: C7H3BrN2OS MolecularWeight: 243.08052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC=C1Br)C(=O)N=C=S

Isomeric SMILES

C1=C(C=NC=C1Br)C(=O)N=C=S

InChI

InChI=1S/C7H3BrN2OS/c8-6-1-5(2-9-3-6)7(11)10-4-12/h1-3H