(E)-2-(5-octadecylsulfanylthieno[3,2-b]thiophen-2-yl)but-2-enedinitrile

Systemtic Name: (E)-2-(5-octadecylsulfanylthieno[3,2-b]thiophen-2-yl)but-2-enedinitrile Openeye Name: (E)-2-(5-octadecylsulfanylthieno[3,2-b]thiophen-2-yl)but-2-enedinitrile CAS Name: (E)-2-[5-(octadecylthio)-2-thieno[3,2-b]thiophenyl]-2-butenedinitrile IUPAC Name: (E)-2-(5-octadecylsulfanylthieno[3,2-b]thiophen-2-yl)but-2-enedinitrile Traditional Name: (E)-2-[5-(stearylthio)thieno[3,2-b]thiophen-2-yl]but-2-enedinitrile Formula: C28H40N2S3 MolecularWeight: 500.8256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=CC2=C(S1)C=C(S2)C(=CC#N)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=CC2=C(S1)C=C(S2)/C(=C/C#N)/C#N

InChI

InChI=1S/C28H40N2S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-28-22-27-26(33-28)21-25(32-27)24(23-30)18-19-29/h18,21-22H,2-17,20H2,1H3/b24-18+