N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-(4-keto-3-methyl-phthalazin-1-yl)acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H20N4O2S/c1-25-21(27)18-9-5-4-8-17(18)19(24-25)12-20(26)23-10-11-28-14-16-7-3-2-6-15(16)13-22/h2-9H,10-12,14H2,1H3,(H,23,26)