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

Systemtic Name: 5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenyl-4-(phenylmethylsulfanyl)pyridazin-3-one Openeye Name: 4-benzylsulfanyl-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[(4-hydroxyphenyl)methyl]-1-piperazinyl]-2-phenyl-4-(phenylmethylthio)-3-pyridazinone IUPAC Name: 4-benzylsulfanyl-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-(benzylthio)-5-[4-(4-hydroxybenzyl)piperazino]-2-phenyl-pyridazin-3-one Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)O)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)SCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)O)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2S/c33-25-13-11-22(12-14-25)20-30-15-17-31(18-16-30)26-19-29-32(24-9-5-2-6-10-24)28(34)27(26)35-21-23-7-3-1-4-8-23/h1-14,19,33H,15-18,20-21H2