3,6-dibutoxy-4-thiophen-2-yl-benzene-1,2-dicarbonitrile

Systemtic Name: 3,6-dibutoxy-4-thiophen-2-yl-benzene-1,2-dicarbonitrile Openeye Name: 3,6-dibutoxy-4-(2-thienyl)phthalonitrile CAS Name: 3,6-dibutoxy-4-thiophen-2-ylbenzene-1,2-dicarbonitrile IUPAC Name: 3,6-dibutoxy-4-thiophen-2-ylbenzene-1,2-dicarbonitrile Traditional Name: 3,6-dibutoxy-4-(2-thienyl)phthalonitrile Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C(=C1)C2=CC=CS2)OCCCC)C#N)C#N

Isomeric SMILES

CCCCOC1=C(C(=C(C(=C1)C2=CC=CS2)OCCCC)C#N)C#N

InChI

InChI=1S/C20H22N2O2S/c1-3-5-9-23-18-12-15(19-8-7-11-25-19)20(24-10-6-4-2)17(14-22)16(18)13-21/h7-8,11-12H,3-6,9-10H2,1-2H3