(E)-3-(4-butoxy-3-ethoxy-phenyl)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)-2-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]prop-2-enenitrile CAS Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-propenenitrile IUPAC Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)-2-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]acrylonitrile Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC(=NO2)C3=CC=CS3)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC(=NO2)C3=CC=CS3)OCC

InChI

InChI=1S/C21H21N3O3S/c1-3-5-10-26-17-9-8-15(13-18(17)25-4-2)12-16(14-22)21-23-20(24-27-21)19-7-6-11-28-19/h6-9,11-13H,3-5,10H2,1-2H3/b16-12+