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

Systemtic Name: 4-[2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[4-(1,3-dioxoisoindolin-2-yl)butylsulfanyl]-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[4-(1,3-dioxo-2-isoindolyl)butylthio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[4-(1,3-dioxoisoindol-2-yl)butylsulfanyl]-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-(4-phthalimidobutylthio)quinazolin-3-yl]benzonitrile Formula: C27H20N4O3S MolecularWeight: 480.5377

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H20N4O3S/c28-17-18-11-13-19(14-12-18)31-26(34)22-9-3-4-10-23(22)29-27(31)35-16-6-5-15-30-24(32)20-7-1-2-8-21(20)25(30)33/h1-4,7-14H,5-6,15-16H2