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

Systemtic Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-[(4-fluorophenyl)thio]propyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[3-[(4-fluorophenyl)thio]propyl]-4-keto-phthalazine-1-carboxamide Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCCSC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FN3O2S/c26-19-11-13-20(14-12-19)32-16-6-15-27-24(30)23-21-9-4-5-10-22(21)25(31)29(28-23)17-18-7-2-1-3-8-18/h1-5,7-14H,6,15-17H2,(H,27,30)