5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-phenyl-4-(phenylmethylsulfanyl)pyridazin-3-one

Systemtic Name: 5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-phenyl-4-(phenylmethylsulfanyl)pyridazin-3-one Openeye Name: 4-benzylsulfanyl-5-[4-(m-tolylmethyl)piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-phenyl-4-(phenylmethylthio)-3-pyridazinone IUPAC Name: 4-benzylsulfanyl-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-(benzylthio)-5-[4-(3-methylbenzyl)piperazino]-2-phenyl-pyridazin-3-one Formula: C29H30N4OS MolecularWeight: 482.6397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)SCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C29H30N4OS/c1-23-9-8-12-25(19-23)21-31-15-17-32(18-16-31)27-20-30-33(26-13-6-3-7-14-26)29(34)28(27)35-22-24-10-4-2-5-11-24/h2-14,19-20H,15-18,21-22H2,1H3