N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(4S)-6-fluorothiochroman-4-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(4S)-6-fluorothiochroman-4-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C18H14FN3O2S MolecularWeight: 355.386063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=NNC(=O)C4=CC=CC=C43)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)C3=NNC(=O)C4=CC=CC=C43)C=C(C=C2)F

InChI

InChI=1S/C18H14FN3O2S/c19-10-5-6-15-13(9-10)14(7-8-25-15)20-18(24)16-11-3-1-2-4-12(11)17(23)22-21-16/h1-6,9,14H,7-8H2,(H,20,24)(H,22,23)/t14-/m0/s1