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

Systemtic Name: N-(2,5-dimethylphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[6-(4-ethoxyphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[(6-p-phenetylpyridazin-3-yl)thio]acetamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H23N3O2S/c1-4-27-18-9-7-17(8-10-18)19-11-12-22(25-24-19)28-14-21(26)23-20-13-15(2)5-6-16(20)3/h5-13H,4,14H2,1-3H3,(H,23,26)