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

Systemtic Name: 5-[5-(4-butylcyclohexyl)-1,3-dioxan-2-yl]thieno[2,3-b]thiophene-2-carbonitrile Openeye Name: 5-[5-(4-butylcyclohexyl)-1,3-dioxan-2-yl]thieno[2,3-b]thiophene-2-carbonitrile CAS Name: 5-[5-(4-butylcyclohexyl)-1,3-dioxan-2-yl]-2-thieno[2,3-b]thiophenecarbonitrile IUPAC Name: 5-[5-(4-butylcyclohexyl)-1,3-dioxan-2-yl]thieno[2,3-b]thiophene-2-carbonitrile Traditional Name: 5-[5-(4-butylcyclohexyl)-1,3-dioxan-2-yl]thieno[2,3-b]thiophene-2-carbonitrile Formula: C21H27NO2S2 MolecularWeight: 389.57458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2COC(OC2)C3=CC4=C(S3)SC(=C4)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C2COC(OC2)C3=CC4=C(S3)SC(=C4)C#N

InChI

InChI=1S/C21H27NO2S2/c1-2-3-4-14-5-7-15(8-6-14)17-12-23-20(24-13-17)19-10-16-9-18(11-22)25-21(16)26-19/h9-10,14-15,17,20H,2-8,12-13H2,1H3