2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-phthalazin-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-phthalazin-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-4-oxo-phthalazin-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxo-1-phthalazinyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[3-(4-bromo-2-fluoro-benzyl)-4-keto-phthalazin-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C24H15BrFN5O4S MolecularWeight: 568.374403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H15BrFN5O4S/c25-14-6-5-13(18(26)9-14)12-30-23(33)17-4-2-1-3-16(17)20(29-30)11-22(32)28-24-27-19-8-7-15(31(34)35)10-21(19)36-24/h1-10H,11-12H2,(H,27,28,32)