N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[2-[(2-fluorobenzyl)thio]ethyl]-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)NCCSCC4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCSCC4=CC=CC=C4F

InChI

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