N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[6-(p-tolyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[[6-(4-methylphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[[6-(p-tolyl)pyridazin-3-yl]thio]acetamide Formula: C21H18F3N3O2S MolecularWeight: 433.44673

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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)C(F)(F)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N3O2S/c1-13-3-5-14(6-4-13)16-8-10-20(27-26-16)30-12-19(28)25-17-11-15(21(22,23)24)7-9-18(17)29-2/h3-11H,12H2,1-2H3,(H,25,28)