N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-(1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-(1-ketophthalazin-2-yl)acetamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CC(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CC(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H18N4O2S/c21-11-15-5-1-2-7-17(15)14-27-10-9-22-19(25)13-24-20(26)18-8-4-3-6-16(18)12-23-24/h1-8,12H,9-10,13-14H2,(H,22,25)