5-bromanyl-4-[(3,4-dimethoxyphenyl)methylamino]-3-[2-(4-methylphenyl)sulfanylethoxy]-1H-pyridazin-6-one

Systemtic Name: 5-bromanyl-4-[(3,4-dimethoxyphenyl)methylamino]-3-[2-(4-methylphenyl)sulfanylethoxy]-1H-pyridazin-6-one Openeye Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-[2-(p-tolylsulfanyl)ethoxy]-1H-pyridazin-6-one CAS Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-[2-[(4-methylphenyl)thio]ethoxy]-1H-pyridazin-6-one IUPAC Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-[2-(4-methylphenyl)sulfanylethoxy]-1H-pyridazin-6-one Traditional Name: 5-bromo-3-[2-(p-tolylthio)ethoxy]-4-(veratrylamino)-1H-pyridazin-6-one Formula: C22H24BrN3O4S MolecularWeight: 506.41266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCOC2=NNC(=O)C(=C2NCC3=CC(=C(C=C3)OC)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)SCCOC2=NNC(=O)C(=C2NCC3=CC(=C(C=C3)OC)OC)Br

InChI

InChI=1S/C22H24BrN3O4S/c1-14-4-7-16(8-5-14)31-11-10-30-22-20(19(23)21(27)25-26-22)24-13-15-6-9-17(28-2)18(12-15)29-3/h4-9,12H,10-11,13H2,1-3H3,(H2,24,25,27)