(E)-4-[5-(2-phenylethynyl)thiophen-2-yl]but-3-en-2-one

Systemtic Name: (E)-4-[5-(2-phenylethynyl)thiophen-2-yl]but-3-en-2-one Openeye Name: (E)-4-[5-(2-phenylethynyl)-2-thienyl]but-3-en-2-one CAS Name: (E)-4-[5-(2-phenylethynyl)-2-thiophenyl]-3-buten-2-one IUPAC Name: (E)-4-[5-(2-phenylethynyl)thiophen-2-yl]but-3-en-2-one Traditional Name: (E)-4-[5-(2-phenylethynyl)-2-thienyl]but-3-en-2-one Formula: C16H12OS MolecularWeight: 252.33088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC=C(S1)C#CC2=CC=CC=C2

Isomeric SMILES

CC(=O)/C=C/C1=CC=C(S1)C#CC2=CC=CC=C2

InChI

InChI=1S/C16H12OS/c1-13(17)7-9-15-11-12-16(18-15)10-8-14-5-3-2-4-6-14/h2-7,9,11-12H,1H3/b9-7+