N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-[3-(2-oxo-1-pyrrolidinyl)phenyl]-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-[3-(2-ketopyrrolidino)phenyl]-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O2S/c31-23(27-19-10-6-11-20(16-19)30-15-7-14-24(30)32)17-33-26-22-13-5-4-12-21(22)25(28-29-26)18-8-2-1-3-9-18/h1-6,8-13,16H,7,14-15,17H2,(H,27,31)