N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-(difluoromethylthio)phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C16H11F2N3O2S MolecularWeight: 347.339246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C16H11F2N3O2S/c17-16(18)24-10-7-5-9(6-8-10)19-15(23)13-11-3-1-2-4-12(11)14(22)21-20-13/h1-8,16H,(H,19,23)(H,21,22)