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

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-(6-fluorothiochroman-4-yl)-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-(6-fluorothiochroman-4-yl)-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C24H18FN3O2S MolecularWeight: 431.482023

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)C=C(C=C2)F

InChI

InChI=1S/C24H18FN3O2S/c25-15-10-11-21-19(14-15)20(12-13-31-21)26-23(29)22-17-8-4-5-9-18(17)24(30)28(27-22)16-6-2-1-3-7-16/h1-11,14,20H,12-13H2,(H,26,29)