5-(4-octylphenyl)-3-(5-pentylthiophen-2-yl)-1,2-oxazole

Systemtic Name: 5-(4-octylphenyl)-3-(5-pentylthiophen-2-yl)-1,2-oxazole Openeye Name: 5-(4-octylphenyl)-3-(5-pentyl-2-thienyl)isoxazole CAS Name: 5-(4-octylphenyl)-3-(5-pentyl-2-thiophenyl)isoxazole IUPAC Name: 5-(4-octylphenyl)-3-(5-pentylthiophen-2-yl)-1,2-oxazole Traditional Name: 3-(5-amyl-2-thienyl)-5-(4-octylphenyl)isoxazole Formula: C26H35NOS MolecularWeight: 409.6272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(S3)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(S3)CCCCC

InChI

InChI=1S/C26H35NOS/c1-3-5-7-8-9-11-12-21-14-16-22(17-15-21)25-20-24(27-28-25)26-19-18-23(29-26)13-10-6-4-2/h14-20H,3-13H2,1-2H3