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

Systemtic Name: 2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide Openeye Name: 2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: 2-[[6-(4-bromophenyl)-3-pyridazinyl]thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide IUPAC Name: 2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-[[6-(4-bromophenyl)pyridazin-3-yl]thio]-N-homoveratryl-acetamide Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O3S/c1-28-19-9-3-15(13-20(19)29-2)11-12-24-21(27)14-30-22-10-8-18(25-26-22)16-4-6-17(23)7-5-16/h3-10,13H,11-12,14H2,1-2H3,(H,24,27)