N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-[(4-fluorophenyl)thio]propyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[3-[(4-fluorophenyl)thio]propyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C18H16FN3O2S MolecularWeight: 357.401943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCCCSC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN3O2S/c19-12-6-8-13(9-7-12)25-11-3-10-20-18(24)16-14-4-1-2-5-15(14)17(23)22-21-16/h1-2,4-9H,3,10-11H2,(H,20,24)(H,22,23)