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

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C22H13FN4O2S MolecularWeight: 416.427623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C22H13FN4O2S/c23-13-10-11-17-18(12-13)30-22(24-17)25-20(28)19-15-8-4-5-9-16(15)21(29)27(26-19)14-6-2-1-3-7-14/h1-12H,(H,24,25,28)