3-[3,5-bis(bromanyl)-4-ethoxy-phenyl]-5-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[3,5-bis(bromanyl)-4-ethoxy-phenyl]-5-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-(3,5-dibromo-4-ethoxy-phenyl)-5-(p-tolylmethylsulfanyl)-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-(3,5-dibromo-4-ethoxyphenyl)-5-[(4-methylphenyl)methylthio]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-(3,5-dibromo-4-ethoxyphenyl)-5-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-(3,5-dibromo-4-ethoxy-phenyl)-5-[(4-methylbenzyl)thio]-4,5-dihydro-1H-pyridazin-6-one Formula: C20H20Br2N2O2S MolecularWeight: 512.258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C2=NNC(=O)C(C2)SCC3=CC=C(C=C3)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C2=NNC(=O)C(C2)SCC3=CC=C(C=C3)C)Br

InChI

InChI=1S/C20H20Br2N2O2S/c1-3-26-19-15(21)8-14(9-16(19)22)17-10-18(20(25)24-23-17)27-11-13-6-4-12(2)5-7-13/h4-9,18H,3,10-11H2,1-2H3,(H,24,25)