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

Systemtic Name: 1-(4-methylphenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 2-[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanyl-1-(p-tolyl)ethanone CAS Name: 1-(4-methylphenyl)-2-[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(4-methylphenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 2-[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]-1-(p-tolyl)ethanone Formula: C24H25N3OS MolecularWeight: 403.5398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3OS/c1-18-5-7-20(8-6-18)23(28)17-29-24-14-13-22(25-26-24)19-9-11-21(12-10-19)27-15-3-2-4-16-27/h5-14H,2-4,15-17H2,1H3