2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-phthalazin-1-yl]-N-(5-nitro-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-phthalazin-1-yl]-N-(5-nitro-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-4-oxo-phthalazin-1-yl]-N-(5-nitrothiazol-2-yl)acetamide CAS Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxo-1-phthalazinyl]-N-(5-nitro-2-thiazolyl)acetamide IUPAC Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[3-(4-bromo-2-fluoro-benzyl)-4-keto-phthalazin-1-yl]-N-(5-nitrothiazol-2-yl)acetamide Formula: C20H13BrFN5O4S MolecularWeight: 518.315723

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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=NC=C(S4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrFN5O4S/c21-12-6-5-11(15(22)7-12)10-26-19(29)14-4-2-1-3-13(14)16(25-26)8-17(28)24-20-23-9-18(32-20)27(30)31/h1-7,9H,8,10H2,(H,23,24,28)