2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(3,5-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(3,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide CAS Name: 2-[[6-(4-bromophenyl)-3-pyridazinyl]thio]-N-(3,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide Traditional Name: 2-[[6-(4-bromophenyl)pyridazin-3-yl]thio]-N-(3,5-dimethoxyphenyl)acetamide Formula: C20H18BrN3O3S MolecularWeight: 460.34422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C20H18BrN3O3S/c1-26-16-9-15(10-17(11-16)27-2)22-19(25)12-28-20-8-7-18(23-24-20)13-3-5-14(21)6-4-13/h3-11H,12H2,1-2H3,(H,22,25)