N-[4-(4-bromophenyl)sulfanylphenyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide

Systemtic Name: N-[4-(4-bromophenyl)sulfanylphenyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide Openeye Name: N-[4-(4-bromophenyl)sulfanylphenyl]-2-(1-oxophthalazin-2-yl)acetamide CAS Name: N-[4-[(4-bromophenyl)thio]phenyl]-2-(1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[4-(4-bromophenyl)sulfanylphenyl]-2-(1-oxophthalazin-2-yl)acetamide Traditional Name: N-[4-[(4-bromophenyl)thio]phenyl]-2-(1-ketophthalazin-2-yl)acetamide Formula: C22H16BrN3O2S MolecularWeight: 466.35034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CC(=O)NC3=CC=C(C=C3)SC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CC(=O)NC3=CC=C(C=C3)SC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrN3O2S/c23-16-5-9-18(10-6-16)29-19-11-7-17(8-12-19)25-21(27)14-26-22(28)20-4-2-1-3-15(20)13-24-26/h1-13H,14H2,(H,25,27)