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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[[6-(4-methoxyphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[6-(4-methoxyphenyl)pyridazin-3-yl]thio]acetamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H21N3O2S/c1-14-10-15(2)12-17(11-14)22-20(25)13-27-21-9-8-19(23-24-21)16-4-6-18(26-3)7-5-16/h4-12H,13H2,1-3H3,(H,22,25)