2-phenyl-4-(phenylmethylsulfanyl)-5-piperidin-1-yl-pyridazin-3-one

Systemtic Name: 2-phenyl-4-(phenylmethylsulfanyl)-5-piperidin-1-yl-pyridazin-3-one Openeye Name: 4-benzylsulfanyl-2-phenyl-5-(1-piperidyl)pyridazin-3-one CAS Name: 2-phenyl-4-(phenylmethylthio)-5-(1-piperidinyl)-3-pyridazinone IUPAC Name: 4-benzylsulfanyl-2-phenyl-5-piperidin-1-ylpyridazin-3-one Traditional Name: 4-(benzylthio)-2-phenyl-5-piperidino-pyridazin-3-one Formula: C22H23N3OS MolecularWeight: 377.50252

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3OS/c26-22-21(27-17-18-10-4-1-5-11-18)20(24-14-8-3-9-15-24)16-23-25(22)19-12-6-2-7-13-19/h1-2,4-7,10-13,16H,3,8-9,14-15,17H2