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

Systemtic Name: 4-[2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[3-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[3-(1,3-dioxo-2-isoindolyl)propylthio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-(3-phthalimidopropylthio)quinazolin-3-yl]benzonitrile Formula: C26H18N4O3S MolecularWeight: 466.51112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H18N4O3S/c27-16-17-10-12-18(13-11-17)30-25(33)21-8-3-4-9-22(21)28-26(30)34-15-5-14-29-23(31)19-6-1-2-7-20(19)24(29)32/h1-4,6-13H,5,14-15H2