5,8-bis(fluoranyl)-4-[(3-thiophen-3-ylphenyl)methyl]-2H-phthalazin-1-one

Systemtic Name: 5,8-bis(fluoranyl)-4-[(3-thiophen-3-ylphenyl)methyl]-2H-phthalazin-1-one Openeye Name: 5,8-difluoro-4-[[3-(3-thienyl)phenyl]methyl]-2H-phthalazin-1-one CAS Name: 5,8-difluoro-4-[[3-(3-thiophenyl)phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 5,8-difluoro-4-[(3-thiophen-3-ylphenyl)methyl]-2H-phthalazin-1-one Traditional Name: 5,8-difluoro-4-[3-(3-thienyl)benzyl]-2H-phthalazin-1-one Formula: C19H12F2N2OS MolecularWeight: 354.373186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC2=NNC(=O)C3=C(C=CC(=C23)F)F)C4=CSC=C4

Isomeric SMILES

C1=CC(=CC(=C1)CC2=NNC(=O)C3=C(C=CC(=C23)F)F)C4=CSC=C4

InChI

InChI=1S/C19H12F2N2OS/c20-14-4-5-15(21)18-17(14)16(22-23-19(18)24)9-11-2-1-3-12(8-11)13-6-7-25-10-13/h1-8,10H,9H2,(H,23,24)