4-isothiocyanato-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-isothiocyanato-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-isothiocyanato-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-isothiocyanato-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-isothiocyanato-N-(2-pyrimidyl)benzenesulfonamide Formula: C11H8N4O2S2 MolecularWeight: 292.33682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C11H8N4O2S2/c16-19(17,15-11-12-6-1-7-13-11)10-4-2-9(3-5-10)14-8-18/h1-7H,(H,12,13,15)