4-[2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[(2,3-difluorophenyl)methylthio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[2-[(2,3-difluorobenzyl)thio]-4-keto-quinazolin-3-yl]benzonitrile Formula: C22H13F2N3OS MolecularWeight: 405.419926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=C(C(=CC=C3)F)F)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=C(C(=CC=C3)F)F)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H13F2N3OS/c23-18-6-3-4-15(20(18)24)13-29-22-26-19-7-2-1-5-17(19)21(28)27(22)16-10-8-14(12-25)9-11-16/h1-11H,13H2