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

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-(difluoromethylthio)phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C19H17F2N3O2S MolecularWeight: 389.418986

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C19H17F2N3O2S/c1-2-11-24-18(26)15-6-4-3-5-14(15)16(23-24)17(25)22-12-7-9-13(10-8-12)27-19(20)21/h3-10,19H,2,11H2,1H3,(H,22,25)