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

Systemtic Name: [3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]-(4-methylpiperidin-1-yl)methanone Openeye Name: (4-methyl-1-piperidyl)-[3-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]phenyl]methanone CAS Name: [3-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]phenyl]-(4-methyl-1-piperidinyl)methanone IUPAC Name: [3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]-(4-methylpiperidin-1-yl)methanone Traditional Name: (4-methylpiperidino)-[3-[[[6-(p-tolyl)pyridazin-3-yl]thio]methyl]phenyl]methanone Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H27N3OS/c1-18-6-8-21(9-7-18)23-10-11-24(27-26-23)30-17-20-4-3-5-22(16-20)25(29)28-14-12-19(2)13-15-28/h3-11,16,19H,12-15,17H2,1-2H3