4-[2-(3,4-dibutyl-5-ethynyl-thiophen-2-yl)ethynyl]-2,6-dipyridin-2-yl-pyridine

Systemtic Name: 4-[2-(3,4-dibutyl-5-ethynyl-thiophen-2-yl)ethynyl]-2,6-dipyridin-2-yl-pyridine Openeye Name: 4-[2-(3,4-dibutyl-5-ethynyl-2-thienyl)ethynyl]-2,6-bis(2-pyridyl)pyridine CAS Name: 4-[2-(3,4-dibutyl-5-ethynyl-2-thiophenyl)ethynyl]-2,6-bis(2-pyridinyl)pyridine IUPAC Name: 4-[2-(3,4-dibutyl-5-ethynylthiophen-2-yl)ethynyl]-2,6-dipyridin-2-ylpyridine Traditional Name: 4-[2-(3,4-dibutyl-5-ethynyl-2-thienyl)ethynyl]-2,6-bis(2-pyridyl)pyridine Formula: C31H29N3S MolecularWeight: 475.64706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H29N3S/c1-4-7-13-24-25(14-8-5-2)31(35-30(24)6-3)18-17-23-21-28(26-15-9-11-19-32-26)34-29(22-23)27-16-10-12-20-33-27/h3,9-12,15-16,19-22H,4-5,7-8,13-14H2,1-2H3