N-[(4-acetamidophenyl)methyl]-2-phthalazin-1-ylsulfanyl-ethanamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-2-phthalazin-1-ylsulfanyl-ethanamide Openeye Name: N-[(4-acetamidophenyl)methyl]-2-phthalazin-1-ylsulfanyl-acetamide CAS Name: N-[(4-acetamidophenyl)methyl]-2-(1-phthalazinylthio)acetamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-2-phthalazin-1-ylsulfanylacetamide Traditional Name: N-(4-acetamidobenzyl)-2-(phthalazin-1-ylthio)acetamide Formula: C19H18N4O2S MolecularWeight: 366.43682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)CSC2=NN=CC3=CC=CC=C32

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)CSC2=NN=CC3=CC=CC=C32

InChI

InChI=1S/C19H18N4O2S/c1-13(24)22-16-8-6-14(7-9-16)10-20-18(25)12-26-19-17-5-3-2-4-15(17)11-21-23-19/h2-9,11H,10,12H2,1H3,(H,20,25)(H,22,24)