4-[5-(4-chlorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl]benzenesulfonamide

Systemtic Name: 4-[5-(4-chlorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl]benzenesulfonamide Openeye Name: 4-[5-(4-chlorophenyl)-4-oxo-2-thioxo-1H-pyrimidin-6-yl]benzenesulfonamide CAS Name: 4-[5-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl]benzenesulfonamide IUPAC Name: 4-[5-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl]benzenesulfonamide Traditional Name: 4-[5-(4-chlorophenyl)-4-keto-2-thioxo-1H-pyrimidin-6-yl]benzenesulfonamide Formula: C16H12ClN3O3S2 MolecularWeight: 393.86778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)NC(=S)N2)C3=CC=C(C=C3)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)NC(=S)N2)C3=CC=C(C=C3)Cl)S(=O)(=O)N

InChI

InChI=1S/C16H12ClN3O3S2/c17-11-5-1-9(2-6-11)13-14(19-16(24)20-15(13)21)10-3-7-12(8-4-10)25(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21,24)