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

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSCC3=CC=CC=C3F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSCC3=CC=CC=C3F

InChI

InChI=1S/C21H22FN3O2S/c1-2-12-25-21(27)17-9-5-4-8-16(17)19(24-25)20(26)23-11-13-28-14-15-7-3-6-10-18(15)22/h3-10H,2,11-14H2,1H3,(H,23,26)