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

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(difluoromethylthio)phenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C17H13F2N3O2S MolecularWeight: 361.365826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F2N3O2S/c1-22-16(24)13-5-3-2-4-12(13)14(21-22)15(23)20-10-6-8-11(9-7-10)25-17(18)19/h2-9,17H,1H3,(H,20,23)