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

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

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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=C3)OC)C

Isomeric SMILES

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

InChI

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