3-[4-[2-(6-methoxy-1-oxidanylidene-4-pyridin-2-yl-phthalazin-2-yl)ethoxy]phenyl]-2-methylsulfanyl-propanamide

Systemtic Name: 3-[4-[2-(6-methoxy-1-oxidanylidene-4-pyridin-2-yl-phthalazin-2-yl)ethoxy]phenyl]-2-methylsulfanyl-propanamide Openeye Name: 3-[4-[2-[6-methoxy-1-oxo-4-(2-pyridyl)phthalazin-2-yl]ethoxy]phenyl]-2-methylsulfanyl-propanamide CAS Name: 3-[4-[2-[6-methoxy-1-oxo-4-(2-pyridinyl)-2-phthalazinyl]ethoxy]phenyl]-2-(methylthio)propanamide IUPAC Name: 3-[4-[2-(6-methoxy-1-oxo-4-pyridin-2-ylphthalazin-2-yl)ethoxy]phenyl]-2-methylsulfanylpropanamide Traditional Name: 3-[4-[2-[1-keto-6-methoxy-4-(2-pyridyl)phthalazin-2-yl]ethoxy]phenyl]-2-(methylthio)propionamide Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(N=C2C3=CC=CC=N3)CCOC4=CC=C(C=C4)CC(C(=O)N)SC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(N=C2C3=CC=CC=N3)CCOC4=CC=C(C=C4)CC(C(=O)N)SC

InChI

InChI=1S/C26H26N4O4S/c1-33-19-10-11-20-21(16-19)24(22-5-3-4-12-28-22)29-30(26(20)32)13-14-34-18-8-6-17(7-9-18)15-23(35-2)25(27)31/h3-12,16,23H,13-15H2,1-2H3,(H2,27,31)