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

Systemtic Name: 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[6-(2,5-dimethylphenyl)-3-pyridazinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[6-(2,5-dimethylphenyl)pyridazin-3-yl]thio]-N-phenethyl-acetamide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN=C(C=C2)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN=C(C=C2)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3OS/c1-16-8-9-17(2)19(14-16)20-10-11-22(25-24-20)27-15-21(26)23-13-12-18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3,(H,23,26)