1,4,7-tris[[2-(phenylmethylsulfanyl)phenyl]methyl]-1,4,7-triazonane

Systemtic Name: 1,4,7-tris[[2-(phenylmethylsulfanyl)phenyl]methyl]-1,4,7-triazonane Openeye Name: 1,4,7-tris[(2-benzylsulfanylphenyl)methyl]-1,4,7-triazonane CAS Name: 1,4,7-tris[[2-(phenylmethylthio)phenyl]methyl]-1,4,7-triazonane IUPAC Name: 1,4,7-tris[(2-benzylsulfanylphenyl)methyl]-1,4,7-triazonane Traditional Name: 1,4,7-tris[2-(benzylthio)benzyl]-1,4,7-triazonane Formula: C48H51N3S3 MolecularWeight: 766.13364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1CC2=CC=CC=C2SCC3=CC=CC=C3)CC4=CC=CC=C4SCC5=CC=CC=C5)CC6=CC=CC=C6SCC7=CC=CC=C7

Isomeric SMILES

C1CN(CCN(CCN1CC2=CC=CC=C2SCC3=CC=CC=C3)CC4=CC=CC=C4SCC5=CC=CC=C5)CC6=CC=CC=C6SCC7=CC=CC=C7

InChI

InChI=1S/C48H51N3S3/c1-4-16-40(17-5-1)37-52-46-25-13-10-22-43(46)34-49-28-30-50(35-44-23-11-14-26-47(44)53-38-41-18-6-2-7-19-41)32-33-51(31-29-49)36-45-24-12-15-27-48(45)54-39-42-20-8-3-9-21-42/h1-27H,28-39H2