1-methyl-7-(2-thiophen-2-ylethynyl)-2,3,4,5-tetrahydroazepine

Systemtic Name: 1-methyl-7-(2-thiophen-2-ylethynyl)-2,3,4,5-tetrahydroazepine Openeye Name: 1-methyl-7-[2-(2-thienyl)ethynyl]-2,3,4,5-tetrahydroazepine CAS Name: 1-methyl-7-(2-thiophen-2-ylethynyl)-2,3,4,5-tetrahydroazepine IUPAC Name: 1-methyl-7-(2-thiophen-2-ylethynyl)-2,3,4,5-tetrahydroazepine Traditional Name: 1-methyl-7-[2-(2-thienyl)ethynyl]-2,3,4,5-tetrahydroazepine Formula: C13H15NS MolecularWeight: 217.3299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC=C1C#CC2=CC=CS2

Isomeric SMILES

CN1CCCCC=C1C#CC2=CC=CS2

InChI

InChI=1S/C13H15NS/c1-14-10-4-2-3-6-12(14)8-9-13-7-5-11-15-13/h5-7,11H,2-4,10H2,1H3