3-[4-[2-(1-oxidanylidenephthalazin-2-yl)ethoxy]phenyl]-2-phenylsulfanyl-propanamide

Systemtic Name: 3-[4-[2-(1-oxidanylidenephthalazin-2-yl)ethoxy]phenyl]-2-phenylsulfanyl-propanamide Openeye Name: 3-[4-[2-(1-oxophthalazin-2-yl)ethoxy]phenyl]-2-phenylsulfanyl-propanamide CAS Name: 3-[4-[2-(1-oxo-2-phthalazinyl)ethoxy]phenyl]-2-(phenylthio)propanamide IUPAC Name: 3-[4-[2-(1-oxophthalazin-2-yl)ethoxy]phenyl]-2-phenylsulfanylpropanamide Traditional Name: 3-[4-[2-(1-ketophthalazin-2-yl)ethoxy]phenyl]-2-(phenylthio)propionamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(CC2=CC=C(C=C2)OCCN3C(=O)C4=CC=CC=C4C=N3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC(CC2=CC=C(C=C2)OCCN3C(=O)C4=CC=CC=C4C=N3)C(=O)N

InChI

InChI=1S/C25H23N3O3S/c26-24(29)23(32-21-7-2-1-3-8-21)16-18-10-12-20(13-11-18)31-15-14-28-25(30)22-9-5-4-6-19(22)17-27-28/h1-13,17,23H,14-16H2,(H2,26,29)