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

Systemtic Name: 5-bromanyl-4-[(3,4-dimethoxyphenyl)methylamino]-3-[2-(4-fluorophenyl)sulfanylethoxy]-1H-pyridazin-6-one Openeye Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-[2-(4-fluorophenyl)sulfanylethoxy]-1H-pyridazin-6-one CAS Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-[2-[(4-fluorophenyl)thio]ethoxy]-1H-pyridazin-6-one IUPAC Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-[2-(4-fluorophenyl)sulfanylethoxy]-1H-pyridazin-6-one Traditional Name: 5-bromo-3-[2-[(4-fluorophenyl)thio]ethoxy]-4-(veratrylamino)-1H-pyridazin-6-one Formula: C21H21BrFN3O4S MolecularWeight: 510.376543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrFN3O4S/c1-28-16-8-3-13(11-17(16)29-2)12-24-19-18(22)20(27)25-26-21(19)30-9-10-31-15-6-4-14(23)5-7-15/h3-8,11H,9-10,12H2,1-2H3,(H2,24,25,27)