N-(4,5-dihydro-1,3-oxazol-2-yl)-4-isothiocyanato-benzenesulfonamide

Systemtic Name: N-(4,5-dihydro-1,3-oxazol-2-yl)-4-isothiocyanato-benzenesulfonamide Openeye Name: N-(4,5-dihydrooxazol-2-yl)-4-isothiocyanato-benzenesulfonamide CAS Name: N-(4,5-dihydrooxazol-2-yl)-4-isothiocyanatobenzenesulfonamide IUPAC Name: N-(4,5-dihydro-1,3-oxazol-2-yl)-4-isothiocyanatobenzenesulfonamide Traditional Name: 4-isothiocyanato-N-(2-oxazolin-2-yl)benzenesulfonamide Formula: C10H9N3O3S2 MolecularWeight: 283.32676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

C1COC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C10H9N3O3S2/c14-18(15,13-10-11-5-6-16-10)9-3-1-8(2-4-9)12-7-17/h1-4H,5-6H2,(H,11,13)