sodium 2-[4-octyl-5-[5-(5-pyridin-4-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]propanedinitrile

Systemtic Name: sodium 2-[4-octyl-5-[5-(5-pyridin-4-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]propanedinitrile Openeye Name: sodium 2-[4-octyl-5-[5-[5-(4-pyridyl)-2-thienyl]-2-thienyl]-2-thienyl]propanedinitrile CAS Name: sodium 2-[4-octyl-5-[5-(5-pyridin-4-yl-2-thiophenyl)-2-thiophenyl]-2-thiophenyl]propanedinitrile IUPAC Name: sodium 2-[4-octyl-5-[5-(5-pyridin-4-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]propanedinitrile Traditional Name: sodium 2-[4-octyl-5-[5-[5-(4-pyridyl)-2-thienyl]-2-thienyl]-2-thienyl]malononitrile Formula: C28H26N3NaS3 MolecularWeight: 523.71091

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(SC(=C1)[C-](C#N)C#N)C2=CC=C(S2)C3=CC=C(S3)C4=CC=NC=C4.[Na+]

Isomeric SMILES

CCCCCCCCC1=C(SC(=C1)[C-](C#N)C#N)C2=CC=C(S2)C3=CC=C(S3)C4=CC=NC=C4.[Na+]

InChI

InChI=1S/C28H26N3S3.Na/c1-2-3-4-5-6-7-8-21-17-27(22(18-29)19-30)34-28(21)26-12-11-25(33-26)24-10-9-23(32-24)20-13-15-31-16-14-20;/h9-17H,2-8H2,1H3;/q-1;+1