1-(4-imidazol-1-ylthiophen-2-yl)pentan-2-one

Systemtic Name: 1-(4-imidazol-1-ylthiophen-2-yl)pentan-2-one Openeye Name: 1-(4-imidazol-1-yl-2-thienyl)pentan-2-one CAS Name: 1-[4-(1-imidazolyl)-2-thiophenyl]-2-pentanone IUPAC Name: 1-(4-imidazol-1-ylthiophen-2-yl)pentan-2-one Traditional Name: 1-(4-imidazol-1-yl-2-thienyl)pentan-2-one Formula: C12H14N2OS MolecularWeight: 234.31736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC1=CC(=CS1)N2C=CN=C2

Isomeric SMILES

CCCC(=O)CC1=CC(=CS1)N2C=CN=C2

InChI

InChI=1S/C12H14N2OS/c1-2-3-11(15)7-12-6-10(8-16-12)14-5-4-13-9-14/h4-6,8-9H,2-3,7H2,1H3