4-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-ylpyridin-4-yl)ethynyl]thiophen-2-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-ylpyridin-4-yl)ethynyl]thiophen-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[5-[2-[2,6-bis(2-pyridyl)-4-pyridyl]ethynyl]-3,4-dibutyl-2-thienyl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[5-[2-[2,6-bis(2-pyridinyl)-4-pyridinyl]ethynyl]-3,4-dibutyl-2-thiophenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[3,4-dibutyl-5-[2-(2,6-dipyridin-2-ylpyridin-4-yl)ethynyl]thiophen-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[5-[2-[2,6-bis(2-pyridyl)-4-pyridyl]ethynyl]-3,4-dibutyl-2-thienyl]-2-methyl-but-3-yn-2-ol Formula: C34H35N3OS MolecularWeight: 533.7262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(SC(=C1CCCC)C#CC(C)(C)O)C#CC2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4

Isomeric SMILES

CCCCC1=C(SC(=C1CCCC)C#CC(C)(C)O)C#CC2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4

InChI

InChI=1S/C34H35N3OS/c1-5-7-13-26-27(14-8-6-2)33(19-20-34(3,4)38)39-32(26)18-17-25-23-30(28-15-9-11-21-35-28)37-31(24-25)29-16-10-12-22-36-29/h9-12,15-16,21-24,38H,5-8,13-14H2,1-4H3