4-[2-[2-(1-cyano-2-phenyl-ethyl)sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[2-(1-cyano-2-phenyl-ethyl)sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-[2-(1-cyano-2-phenyl-ethyl)sulfanyl-4-oxo-quinazolin-3-yl]ethyl]benzenesulfonamide CAS Name: 4-[2-[2-[(1-cyano-2-phenylethyl)thio]-4-oxo-3-quinazolinyl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[2-(1-cyano-2-phenylethyl)sulfanyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-[2-[2-[(1-cyano-2-phenyl-ethyl)thio]-4-keto-quinazolin-3-yl]ethyl]benzenesulfonamide Formula: C25H22N4O3S2 MolecularWeight: 490.59718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C#N)SC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C#N)SC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C25H22N4O3S2/c26-17-20(16-19-6-2-1-3-7-19)33-25-28-23-9-5-4-8-22(23)24(30)29(25)15-14-18-10-12-21(13-11-18)34(27,31)32/h1-13,20H,14-16H2,(H2,27,31,32)