5-[5-(4-heptylcyclohexyl)-1,3-dioxan-2-yl]thieno[2,3-b]thiophene-2-carbonitrile

Systemtic Name: 5-[5-(4-heptylcyclohexyl)-1,3-dioxan-2-yl]thieno[2,3-b]thiophene-2-carbonitrile Openeye Name: 5-[5-(4-heptylcyclohexyl)-1,3-dioxan-2-yl]thieno[2,3-b]thiophene-2-carbonitrile CAS Name: 5-[5-(4-heptylcyclohexyl)-1,3-dioxan-2-yl]-2-thieno[2,3-b]thiophenecarbonitrile IUPAC Name: 5-[5-(4-heptylcyclohexyl)-1,3-dioxan-2-yl]thieno[2,3-b]thiophene-2-carbonitrile Traditional Name: 5-[5-(4-heptylcyclohexyl)-1,3-dioxan-2-yl]thieno[2,3-b]thiophene-2-carbonitrile Formula: C24H33NO2S2 MolecularWeight: 431.65432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2COC(OC2)C3=CC4=C(S3)SC(=C4)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2COC(OC2)C3=CC4=C(S3)SC(=C4)C#N

InChI

InChI=1S/C24H33NO2S2/c1-2-3-4-5-6-7-17-8-10-18(11-9-17)20-15-26-23(27-16-20)22-13-19-12-21(14-25)28-24(19)29-22/h12-13,17-18,20,23H,2-11,15-16H2,1H3