N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(difluoromethylthio)phenyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C20H19F2N3O2S MolecularWeight: 403.445566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C20H19F2N3O2S/c1-12(2)11-25-19(27)16-6-4-3-5-15(16)17(24-25)18(26)23-13-7-9-14(10-8-13)28-20(21)22/h3-10,12,20H,11H2,1-2H3,(H,23,26)