2-(2-phenylsulfanylethyl)-4-pyridin-3-yl-phthalazin-1-one

Systemtic Name: 2-(2-phenylsulfanylethyl)-4-pyridin-3-yl-phthalazin-1-one Openeye Name: 2-(2-phenylsulfanylethyl)-4-(3-pyridyl)phthalazin-1-one CAS Name: 2-[2-(phenylthio)ethyl]-4-(3-pyridinyl)-1-phthalazinone IUPAC Name: 2-(2-phenylsulfanylethyl)-4-pyridin-3-ylphthalazin-1-one Traditional Name: 2-[2-(phenylthio)ethyl]-4-(3-pyridyl)phthalazin-1-one Formula: C21H17N3OS MolecularWeight: 359.44418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCN2C(=O)C3=CC=CC=C3C(=N2)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)SCCN2C(=O)C3=CC=CC=C3C(=N2)C4=CN=CC=C4

InChI

InChI=1S/C21H17N3OS/c25-21-19-11-5-4-10-18(19)20(16-7-6-12-22-15-16)23-24(21)13-14-26-17-8-2-1-3-9-17/h1-12,15H,13-14H2