2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]quinazolin-4-olate Openeye Name: 2-(3,4,4-trifluorobut-3-enylsulfanyl)quinazolin-4-olate CAS Name: 2-(3,4,4-trifluorobut-3-enylthio)-4-quinazolinolate IUPAC Name: 2-(3,4,4-trifluorobut-3-enylsulfanyl)quinazolin-4-olate Traditional Name: 2-(3,4,4-trifluorobut-3-enylthio)quinazolin-4-olate Formula: C12H8F3N2OS- MolecularWeight: 285.26493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCCC(=C(F)F)F)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCCC(=C(F)F)F)[O-]

InChI

InChI=1S/C12H9F3N2OS/c13-8(10(14)15)5-6-19-12-16-9-4-2-1-3-7(9)11(18)17-12/h1-4H,5-6H2,(H,16,17,18)/p-1