[3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]-piperidin-1-yl-methanone

Systemtic Name: [3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]-piperidin-1-yl-methanone Openeye Name: 1-piperidyl-[3-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]phenyl]methanone CAS Name: [3-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]phenyl]-(1-piperidinyl)methanone IUPAC Name: [3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]-piperidin-1-ylmethanone Traditional Name: piperidino-[3-[[[6-(p-tolyl)pyridazin-3-yl]thio]methyl]phenyl]methanone Formula: C24H25N3OS MolecularWeight: 403.5398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=CC(=C3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=CC(=C3)C(=O)N4CCCCC4

InChI

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