4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(2-pyrimidyl)benzenesulfonamide Formula: C18H13N5O3S2 MolecularWeight: 411.45752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C18H13N5O3S2/c24-16-14-4-1-2-5-15(14)21-18(27)23(16)12-6-8-13(9-7-12)28(25,26)22-17-19-10-3-11-20-17/h1-11H,(H,21,27)(H,19,20,22)