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

Systemtic Name: 4-[[3-[2,4-bis(fluoranyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[3-(2,4-difluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[3-(2,4-difluorophenyl)-4-keto-quinazolin-2-yl]thio]methyl]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=CC=C(C=C3)C#N)C4=C(C=C(C=C4)F)F

Isomeric SMILES

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

InChI

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