4-[(4-chlorophenyl)methylsulfanyl]-2-phenyl-5-piperidin-1-yl-pyridazin-3-one

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-phenyl-5-piperidin-1-yl-pyridazin-3-one Openeye Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-phenyl-5-(1-piperidyl)pyridazin-3-one CAS Name: 4-[(4-chlorophenyl)methylthio]-2-phenyl-5-(1-piperidinyl)-3-pyridazinone IUPAC Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-phenyl-5-piperidin-1-ylpyridazin-3-one Traditional Name: 4-[(4-chlorobenzyl)thio]-2-phenyl-5-piperidino-pyridazin-3-one Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3OS/c23-18-11-9-17(10-12-18)16-28-21-20(25-13-5-2-6-14-25)15-24-26(22(21)27)19-7-3-1-4-8-19/h1,3-4,7-12,15H,2,5-6,13-14,16H2