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

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[4-(difluoromethylsulfanyl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(difluoromethylthio)phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[4-(difluoromethylsulfanyl)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[4-(difluoromethylthio)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C23H17F2N3O2S MolecularWeight: 437.461786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=C(C=C4)SC(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=C(C=C4)SC(F)F

InChI

InChI=1S/C23H17F2N3O2S/c24-23(25)31-17-12-10-16(11-13-17)26-21(29)20-18-8-4-5-9-19(18)22(30)28(27-20)14-15-6-2-1-3-7-15/h1-13,23H,14H2,(H,26,29)