N-(4-methylphenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: 2-[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: 2-[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]-N-(p-tolyl)acetamide Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C24H26N4OS/c1-18-5-9-20(10-6-18)25-23(29)17-30-24-14-13-22(26-27-24)19-7-11-21(12-8-19)28-15-3-2-4-16-28/h5-14H,2-4,15-17H2,1H3,(H,25,29)