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

Systemtic Name: 4-[2-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]ethyl]benzenesulfonamide CAS Name: 4-[2-[2-(cyanomethylthio)-4-oxo-3-quinazolinyl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-[2-[2-(cyanomethylthio)-4-keto-quinazolin-3-yl]ethyl]benzenesulfonamide Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H16N4O3S2/c19-10-12-26-18-21-16-4-2-1-3-15(16)17(23)22(18)11-9-13-5-7-14(8-6-13)27(20,24)25/h1-8H,9,11-12H2,(H2,20,24,25)