N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-(4-keto-3H-phthalazin-1-yl)acetamide Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O2S/c19-12-5-7-13(8-6-12)25-10-9-20-17(23)11-16-14-3-1-2-4-15(14)18(24)22-21-16/h1-8H,9-11H2,(H,20,23)(H,22,24)