2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(3-phenylsulfanylpropyl)ethanamide

Systemtic Name: 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)-N-[3-(phenylthio)propyl]acetamide Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C19H19N3O3S/c23-17(20-11-6-12-26-14-7-2-1-3-8-14)13-22-19(25)16-10-5-4-9-15(16)18(24)21-22/h1-5,7-10H,6,11-13H2,(H,20,23)(H,21,24)