4-[4-oxidanylidene-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[4-oxidanylidene-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[4-oxo-2-[(5-phenylisoxazol-3-yl)methylsulfanyl]quinazolin-3-yl]benzonitrile CAS Name: 4-[4-oxo-2-[(5-phenyl-3-isoxazolyl)methylthio]-3-quinazolinyl]benzonitrile IUPAC Name: 4-[4-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-[(5-phenylisoxazol-3-yl)methylthio]quinazolin-3-yl]benzonitrile Formula: C25H16N4O2S MolecularWeight: 436.48514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H16N4O2S/c26-15-17-10-12-20(13-11-17)29-24(30)21-8-4-5-9-22(21)27-25(29)32-16-19-14-23(31-28-19)18-6-2-1-3-7-18/h1-14H,16H2