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

Systemtic Name: 3-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[2-[(2-fluorophenyl)methylthio]ethylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[2-[(2-fluorobenzyl)thio]ethylamino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C20H19FN4O3S MolecularWeight: 414.453263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)F

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)F

InChI

InChI=1S/C20H19FN4O3S/c21-16-8-4-1-5-13(16)12-29-10-9-23-17(26)11-25-20(28)15-7-3-2-6-14(15)18(24-25)19(22)27/h1-8H,9-12H2,(H2,22,27)(H,23,26)