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

Systemtic Name: 4-[2-[2-(3-cyanopropylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-[2-(3-cyanopropylsulfanyl)-4-oxo-quinazolin-3-yl]ethyl]benzenesulfonamide CAS Name: 4-[2-[2-(3-cyanopropylthio)-4-oxo-3-quinazolinyl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[2-(3-cyanopropylsulfanyl)-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-[2-[2-(3-cyanopropylthio)-4-keto-quinazolin-3-yl]ethyl]benzenesulfonamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S2/c21-12-3-4-14-28-20-23-18-6-2-1-5-17(18)19(25)24(20)13-11-15-7-9-16(10-8-15)29(22,26)27/h1-2,5-10H,3-4,11,13-14H2,(H2,22,26,27)