4-[2-(6-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide

Systemtic Name: 4-[2-(6-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide Openeye Name: 4-[2-(6-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)ethyl]benzenesulfonamide CAS Name: 4-[2-(6-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide IUPAC Name: 4-[2-(6-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide Traditional Name: 4-[2-(6-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)ethyl]benzenesulfonamide Formula: C16H14ClN3O3S2 MolecularWeight: 395.88366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN2C(=O)C3=C(C=CC(=C3)Cl)NC2=S)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCN2C(=O)C3=C(C=CC(=C3)Cl)NC2=S)S(=O)(=O)N

InChI

InChI=1S/C16H14ClN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23)