N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]acetamide IUPAC Name: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]acetamide Formula: C25H25F3N4O2S MolecularWeight: 502.55181

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C25H25F3N4O2S/c1-34-22-11-7-18(25(26,27)28)15-21(22)29-23(33)16-35-24-12-10-20(30-31-24)17-5-8-19(9-6-17)32-13-3-2-4-14-32/h5-12,15H,2-4,13-14,16H2,1H3,(H,29,33)