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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[[6-(2,4-dimethylphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[[6-(2,4-dimethylphenyl)pyridazin-3-yl]thio]acetamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)Cl)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)Cl)OC)C

InChI

InChI=1S/C21H20ClN3O2S/c1-13-4-6-16(14(2)10-13)17-7-9-21(25-24-17)28-12-20(26)23-18-11-15(22)5-8-19(18)27-3/h4-11H,12H2,1-3H3,(H,23,26)