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

Systemtic Name: 1-(4-imidazol-1-ylthiophen-2-yl)hexan-2-one Openeye Name: 1-(4-imidazol-1-yl-2-thienyl)hexan-2-one CAS Name: 1-[4-(1-imidazolyl)-2-thiophenyl]-2-hexanone IUPAC Name: 1-(4-imidazol-1-ylthiophen-2-yl)hexan-2-one Traditional Name: 1-(4-imidazol-1-yl-2-thienyl)hexan-2-one Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2OS/c1-2-3-4-12(16)8-13-7-11(9-17-13)15-6-5-14-10-15/h5-7,9-10H,2-4,8H2,1H3