2-[3-[3-(2-ethyl-5-oxidanyl-4-thiophen-3-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzenecarbonitrile

Systemtic Name: 2-[3-[3-(2-ethyl-5-oxidanyl-4-thiophen-3-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzenecarbonitrile Openeye Name: 2-[3-[3-[2-ethyl-5-hydroxy-4-(3-thienyl)phenoxy]propoxy]-2-propyl-phenoxy]benzonitrile CAS Name: 2-[3-[3-[2-ethyl-5-hydroxy-4-(3-thiophenyl)phenoxy]propoxy]-2-propylphenoxy]benzonitrile IUPAC Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-thiophen-3-ylphenoxy)propoxy]-2-propylphenoxy]benzonitrile Traditional Name: 2-[3-[3-[2-ethyl-5-hydroxy-4-(3-thienyl)phenoxy]propoxy]-2-propyl-phenoxy]benzonitrile Formula: C31H31NO4S MolecularWeight: 513.64714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3=CSC=C3)CC)OC4=CC=CC=C4C#N

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3=CSC=C3)CC)OC4=CC=CC=C4C#N

InChI

InChI=1S/C31H31NO4S/c1-3-9-25-29(12-7-13-30(25)36-28-11-6-5-10-23(28)20-32)34-15-8-16-35-31-19-27(33)26(18-22(31)4-2)24-14-17-37-21-24/h5-7,10-14,17-19,21,33H,3-4,8-9,15-16H2,1-2H3