N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(4S)-8-fluorothiochroman-4-yl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(4S)-8-fluorothiochroman-4-yl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCSC4=C3C=CC=C4F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@H]3CCSC4=C3C=CC=C4F

InChI

InChI=1S/C21H20FN3O2S/c1-2-11-25-21(27)14-7-4-3-6-13(14)18(24-25)20(26)23-17-10-12-28-19-15(17)8-5-9-16(19)22/h3-9,17H,2,10-12H2,1H3,(H,23,26)/t17-/m0/s1