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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(2-chlorobenzyl)-2-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]thio]acetamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)NCC3=CC=CC=C3Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)NCC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C21H20ClN3O3S/c1-27-18-9-7-14(11-19(18)28-2)17-8-10-21(25-24-17)29-13-20(26)23-12-15-5-3-4-6-16(15)22/h3-11H,12-13H2,1-2H3,(H,23,26)