3,6-dibutoxy-4,5-dithiophen-2-yl-benzene-1,2-dicarbonitrile

Systemtic Name: 3,6-dibutoxy-4,5-dithiophen-2-yl-benzene-1,2-dicarbonitrile Openeye Name: 3,6-dibutoxy-4,5-bis(2-thienyl)phthalonitrile CAS Name: 3,6-dibutoxy-4,5-dithiophen-2-ylbenzene-1,2-dicarbonitrile IUPAC Name: 3,6-dibutoxy-4,5-dithiophen-2-ylbenzene-1,2-dicarbonitrile Traditional Name: 3,6-dibutoxy-4,5-bis(2-thienyl)phthalonitrile Formula: C24H24N2O2S2 MolecularWeight: 436.58956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C(=C1C#N)C#N)OCCCC)C2=CC=CS2)C3=CC=CS3

Isomeric SMILES

CCCCOC1=C(C(=C(C(=C1C#N)C#N)OCCCC)C2=CC=CS2)C3=CC=CS3

InChI

InChI=1S/C24H24N2O2S2/c1-3-5-11-27-23-17(15-25)18(16-26)24(28-12-6-4-2)22(20-10-8-14-30-20)21(23)19-9-7-13-29-19/h7-10,13-14H,3-6,11-12H2,1-2H3