4-[2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanyl]-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[2-(1,3-dioxo-2-isoindolyl)ethylthio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-(2-phthalimidoethylthio)quinazolin-3-yl]benzonitrile Formula: C25H16N4O3S MolecularWeight: 452.48454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H16N4O3S/c26-15-16-9-11-17(12-10-16)29-24(32)20-7-3-4-8-21(20)27-25(29)33-14-13-28-22(30)18-5-1-2-6-19(18)23(28)31/h1-12H,13-14H2