zinc 9-hexyl-3-[(E)-2-[4-(2-pyridin-2-yl-6-pyridin-3-yl-pyridin-4-yl)phenyl]ethenyl]carbazole sulfide

Systemtic Name: zinc 9-hexyl-3-[(E)-2-[4-(2-pyridin-2-yl-6-pyridin-3-yl-pyridin-4-yl)phenyl]ethenyl]carbazole sulfide Openeye Name: zinc 9-hexyl-3-[(E)-2-[4-[2-(2-pyridyl)-6-(3-pyridyl)-4-pyridyl]phenyl]vinyl]carbazole sulfide CAS Name: zinc 9-hexyl-3-[(E)-2-[4-[2-(2-pyridinyl)-6-(3-pyridinyl)-4-pyridinyl]phenyl]ethenyl]carbazole sulfide IUPAC Name: zinc 9-hexyl-3-[(E)-2-[4-(2-pyridin-2-yl-6-pyridin-3-ylpyridin-4-yl)phenyl]ethenyl]carbazole sulfide Traditional Name: zinc 9-hexyl-3-[(E)-2-[4-[2-(2-pyridyl)-6-(3-pyridyl)-4-pyridyl]phenyl]vinyl]carbazole sulfide Formula: C41H36N4SZn MolecularWeight: 682.22534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=C(C=C2)C=CC3=CC=C(C=C3)C4=CC(=NC(=C4)C5=CC=CC=N5)C6=CN=CC=C6)C7=CC=CC=C71.[S-2].[Zn+2]

Isomeric SMILES

CCCCCCN1C2=C(C=C(C=C2)/C=C/C3=CC=C(C=C3)C4=CC(=NC(=C4)C5=CC=CC=N5)C6=CN=CC=C6)C7=CC=CC=C71.[S-2].[Zn+2]

InChI

InChI=1S/C41H36N4.S.Zn/c1-2-3-4-9-25-45-40-14-6-5-12-35(40)36-26-31(19-22-41(36)45)16-15-30-17-20-32(21-18-30)34-27-38(33-11-10-23-42-29-33)44-39(28-34)37-13-7-8-24-43-37;;/h5-8,10-24,26-29H,2-4,9,25H2,1H3;;/q;-2;+2/b16-15+;;