3-[3-(3,4,5-trimethoxyphenoxy)-1-benzothiophen-2-yl]benzenecarbonitrile

Systemtic Name: 3-[3-(3,4,5-trimethoxyphenoxy)-1-benzothiophen-2-yl]benzenecarbonitrile Openeye Name: 3-[3-(3,4,5-trimethoxyphenoxy)benzothiophen-2-yl]benzonitrile CAS Name: 3-[3-(3,4,5-trimethoxyphenoxy)-1-benzothiophen-2-yl]benzonitrile IUPAC Name: 3-[3-(3,4,5-trimethoxyphenoxy)-1-benzothiophen-2-yl]benzonitrile Traditional Name: 3-[3-(3,4,5-trimethoxyphenoxy)benzothiophen-2-yl]benzonitrile Formula: C24H19NO4S MolecularWeight: 417.47696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)OC2=C(SC3=CC=CC=C32)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)OC2=C(SC3=CC=CC=C32)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H19NO4S/c1-26-19-12-17(13-20(27-2)23(19)28-3)29-22-18-9-4-5-10-21(18)30-24(22)16-8-6-7-15(11-16)14-25/h4-13H,1-3H3