N-(2,3-dimethylphenyl)-2-[6-(2-methylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[6-(2-methylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[6-(o-tolyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[6-(2-methylphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[6-(2-methylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[6-(o-tolyl)pyridazin-3-yl]thio]acetamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3C)C

InChI

InChI=1S/C21H21N3OS/c1-14-8-6-10-18(16(14)3)22-20(25)13-26-21-12-11-19(23-24-21)17-9-5-4-7-15(17)2/h4-12H,13H2,1-3H3,(H,22,25)