1,3,5-tris(1-phenyl-3-thiophen-2-yl-butan-2-yl)-1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1,3,5-tris(1-phenyl-3-thiophen-2-yl-butan-2-yl)-1,3,5-triazinane-2,4,6-trione Openeye Name: 1,3,5-tris[1-benzyl-2-(2-thienyl)propyl]-1,3,5-triazinane-2,4,6-trione CAS Name: 1,3,5-tris(1-phenyl-3-thiophen-2-ylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1,3,5-tris(1-phenyl-3-thiophen-2-ylbutan-2-yl)-1,3,5-triazinane-2,4,6-trione Traditional Name: 1,3,5-tris[1-benzyl-2-(2-thienyl)propyl]isocyanuric acid Formula: C45H45N3O3S3 MolecularWeight: 772.0521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)C(CC2=CC=CC=C2)N3C(=O)N(C(=O)N(C3=O)C(CC4=CC=CC=C4)C(C)C5=CC=CS5)C(CC6=CC=CC=C6)C(C)C7=CC=CS7

Isomeric SMILES

CC(C1=CC=CS1)C(CC2=CC=CC=C2)N3C(=O)N(C(=O)N(C3=O)C(CC4=CC=CC=C4)C(C)C5=CC=CS5)C(CC6=CC=CC=C6)C(C)C7=CC=CS7

InChI

InChI=1S/C45H45N3O3S3/c1-31(40-22-13-25-52-40)37(28-34-16-7-4-8-17-34)46-43(49)47(38(29-35-18-9-5-10-19-35)32(2)41-23-14-26-53-41)45(51)48(44(46)50)39(30-36-20-11-6-12-21-36)33(3)42-24-15-27-54-42/h4-27,31-33,37-39H,28-30H2,1-3H3