2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]-1H-quinazolin-4-one Openeye Name: 2-(3,4,4-trifluorobut-3-enylsulfanyl)-1H-quinazolin-4-one CAS Name: 2-(3,4,4-trifluorobut-3-enylthio)-1H-quinazolin-4-one IUPAC Name: 2-(3,4,4-trifluorobut-3-enylsulfanyl)-1H-quinazolin-4-one Traditional Name: 2-(3,4,4-trifluorobut-3-enylthio)-1H-quinazolin-4-one Formula: C12H9F3N2OS MolecularWeight: 286.27287

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)SCCC(=C(F)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)SCCC(=C(F)F)F

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)