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

Systemtic Name: 5-bromanyl-4-[(3,4-dimethoxyphenyl)methylamino]-3-(2-phenylsulfanylethoxy)-1H-pyridazin-6-one Openeye Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-(2-phenylsulfanylethoxy)-1H-pyridazin-6-one CAS Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-[2-(phenylthio)ethoxy]-1H-pyridazin-6-one IUPAC Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-(2-phenylsulfanylethoxy)-1H-pyridazin-6-one Traditional Name: 5-bromo-3-[2-(phenylthio)ethoxy]-4-(veratrylamino)-1H-pyridazin-6-one Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=O)NN=C2OCCSC3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=O)NN=C2OCCSC3=CC=CC=C3)Br)OC

InChI

InChI=1S/C21H22BrN3O4S/c1-27-16-9-8-14(12-17(16)28-2)13-23-19-18(22)20(26)24-25-21(19)29-10-11-30-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H2,23,24,26)