4-[2-[2-(1-cyanoethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[2-(1-cyanoethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-[2-(1-cyanoethylsulfanyl)-4-oxo-quinazolin-3-yl]ethyl]benzenesulfonamide CAS Name: 4-[2-[2-(1-cyanoethylthio)-4-oxo-3-quinazolinyl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[2-(1-cyanoethylsulfanyl)-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-[2-[2-(1-cyanoethylthio)-4-keto-quinazolin-3-yl]ethyl]benzenesulfonamide Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C#N)SC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H18N4O3S2/c1-13(12-20)27-19-22-17-5-3-2-4-16(17)18(24)23(19)11-10-14-6-8-15(9-7-14)28(21,25)26/h2-9,13H,10-11H2,1H3,(H2,21,25,26)