4-[2-[4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)quinazolin-3-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)quinazolin-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-[4-oxo-2-(3-pyridylmethylsulfanyl)quinazolin-3-yl]ethyl]benzenesulfonamide CAS Name: 4-[2-[4-oxo-2-(3-pyridinylmethylthio)-3-quinazolinyl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[4-oxo-2-(pyridin-3-ylmethylsulfanyl)quinazolin-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-[2-[4-keto-2-(3-pyridylmethylthio)quinazolin-3-yl]ethyl]benzenesulfonamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CN=CC=C3)CCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CN=CC=C3)CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C22H20N4O3S2/c23-31(28,29)18-9-7-16(8-10-18)11-13-26-21(27)19-5-1-2-6-20(19)25-22(26)30-15-17-4-3-12-24-14-17/h1-10,12,14H,11,13,15H2,(H2,23,28,29)