5-(4-octylphenyl)-3-[5-[(E)-pent-1-enyl]thiophen-2-yl]-1,2-oxazole

Systemtic Name: 5-(4-octylphenyl)-3-[5-[(E)-pent-1-enyl]thiophen-2-yl]-1,2-oxazole Openeye Name: 5-(4-octylphenyl)-3-[5-[(E)-pent-1-enyl]-2-thienyl]isoxazole CAS Name: 5-(4-octylphenyl)-3-[5-[(E)-pent-1-enyl]-2-thiophenyl]isoxazole IUPAC Name: 5-(4-octylphenyl)-3-[5-[(E)-pent-1-enyl]thiophen-2-yl]-1,2-oxazole Traditional Name: 5-(4-octylphenyl)-3-[5-[(E)-pent-1-enyl]-2-thienyl]isoxazole Formula: C26H33NOS MolecularWeight: 407.61132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(S3)/C=C/CCC

InChI

InChI=1S/C26H33NOS/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/h10,13-20H,3-9,11-12H2,1-2H3/b13-10+