1-[3,4-bis(oxidanyl)phenyl]-2-[4-(4-methylphenyl)phthalazin-1-yl]sulfanyl-ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-[4-(4-methylphenyl)phthalazin-1-yl]sulfanyl-ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-[4-(p-tolyl)phthalazin-1-yl]sulfanyl-ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-[[4-(4-methylphenyl)-1-phthalazinyl]thio]ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-[4-(4-methylphenyl)phthalazin-1-yl]sulfanylethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-[[4-(p-tolyl)phthalazin-1-yl]thio]ethanone Formula: C23H18N2O3S MolecularWeight: 402.46562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)C4=CC(=C(C=C4)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)C4=CC(=C(C=C4)O)O

InChI

InChI=1S/C23H18N2O3S/c1-14-6-8-15(9-7-14)22-17-4-2-3-5-18(17)23(25-24-22)29-13-21(28)16-10-11-19(26)20(27)12-16/h2-12,26-27H,13H2,1H3