4-[2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[(4-amino-2-quinazolinyl)methylthio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[2-[(4-aminoquinazolin-2-yl)methylthio]-4-keto-quinazolin-3-yl]benzonitrile Formula: C24H16N6OS MolecularWeight: 436.48844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N)N

InChI

InChI=1S/C24H16N6OS/c25-13-15-9-11-16(12-10-15)30-23(31)18-6-2-4-8-20(18)28-24(30)32-14-21-27-19-7-3-1-5-17(19)22(26)29-21/h1-12H,14H2,(H2,26,27,29)