2-[bis(fluoranyl)methylsulfanyl]-3-butyl-quinazolin-4-one

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-3-butyl-quinazolin-4-one Openeye Name: 3-butyl-2-(difluoromethylsulfanyl)quinazolin-4-one CAS Name: 3-butyl-2-(difluoromethylthio)-4-quinazolinone IUPAC Name: 3-butyl-2-(difluoromethylsulfanyl)quinazolin-4-one Traditional Name: 3-butyl-2-(difluoromethylthio)quinazolin-4-one Formula: C13H14F2N2OS MolecularWeight: 284.324866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(F)F

InChI

InChI=1S/C13H14F2N2OS/c1-2-3-8-17-11(18)9-6-4-5-7-10(9)16-13(17)19-12(14)15/h4-7,12H,2-3,8H2,1H3