5-bromanyl-3-[2-(4-chlorophenyl)sulfanylethoxy]-4-[(3,4-dimethoxyphenyl)-methyl-amino]-1H-pyridazin-6-one

Systemtic Name: 5-bromanyl-3-[2-(4-chlorophenyl)sulfanylethoxy]-4-[(3,4-dimethoxyphenyl)-methyl-amino]-1H-pyridazin-6-one Openeye Name: 5-bromo-3-[2-(4-chlorophenyl)sulfanylethoxy]-4-(3,4-dimethoxy-N-methyl-anilino)-1H-pyridazin-6-one CAS Name: 5-bromo-3-[2-[(4-chlorophenyl)thio]ethoxy]-4-(3,4-dimethoxy-N-methylanilino)-1H-pyridazin-6-one IUPAC Name: 5-bromo-3-[2-(4-chlorophenyl)sulfanylethoxy]-4-(3,4-dimethoxy-N-methylanilino)-1H-pyridazin-6-one Traditional Name: 5-bromo-3-[2-[(4-chlorophenyl)thio]ethoxy]-4-(3,4-dimethoxy-N-methyl-anilino)-1H-pyridazin-6-one Formula: C21H21BrClN3O4S MolecularWeight: 526.83114

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=C(C=C1)OC)OC)C2=C(C(=O)NN=C2OCCSC3=CC=C(C=C3)Cl)Br

Isomeric SMILES

CN(C1=CC(=C(C=C1)OC)OC)C2=C(C(=O)NN=C2OCCSC3=CC=C(C=C3)Cl)Br

InChI

InChI=1S/C21H21BrClN3O4S/c1-26(14-6-9-16(28-2)17(12-14)29-3)19-18(22)20(27)24-25-21(19)30-10-11-31-15-7-4-13(23)5-8-15/h4-9,12H,10-11H2,1-3H3,(H,24,27)